Geometry & MOs

Info

ID:	304814
PubChem CID:	124766201
Reduced:	N3O5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	498.179087
ΔH_f, kcal/mol:	-166.78
Dipole, Da:	5.66
IP(EA), eV:	-8.38(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,3S,3aR,6aR)-5-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-4,6-dioxo-3-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

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

CCOC(=O)[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=C(C=C3)N(C)C)C(=O)N(C2=O)C4=CC=C(C=C4)OC)C

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

CCOC(=O)[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=C(C=C3)N(C)C)C(=O)N(C2=O)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):