Geometry & MOs

Info

ID:	304906
PubChem CID:	124766297
Reduced:	FSN2O6C25H25 (1)
Stoich.:	ABC2D6E25F25 (1)
Weight, g/mol:	429.262757
ΔH_f, kcal/mol:	-236.04
Dipole, Da:	4.67
IP(EA), eV:	-8.43(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,5R,6R,7R)-2-N,6-N-dicyclopentyl-7-methyl-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

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

COC(=O)[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=CC=C3F)C(=O)N(C2=O)C4=CC5=C(C=C4)OCCO5)CCSC

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

COC(=O)[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=CC=C3F)C(=O)N(C2=O)C4=CC5=C(C=C4)OCCO5)CCSC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):