Geometry & MOs

Info

ID:	194710
PubChem CID:	78579639
Reduced:	ClFS2N3O6H25C33 (1)
Stoich.:	ABC2D3E6F25G33 (1)
Weight, g/mol:	704.97945
ΔH_f, kcal/mol:	-200.12
Dipole, Da:	3.21
IP(EA), eV:	-8.57(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(8S)-11-(4-bromophenyl)-5,10,12-trioxo-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-en-8-yl]-4-chlorophenoxy]-N-naphthalen-1-ylacetamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1C2C3[C@H](C4=C(NC(=O)S4)SC3C1C5C2C(=O)N(C5=O)C6=CC=C(C=C6)F)C7=C(C=CC(=C7)Cl)OCC(=O)NC8=CC=C(C=C8)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1C2C3[C@H](C4=C(NC(=O)S4)SC3C1C5C2C(=O)N(C5=O)C6=CC=C(C=C6)F)C7=C(C=CC(=C7)Cl)OCC(=O)NC8=CC=C(C=C8)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):