Geometry & MOs

Info

ID:	307574
PubChem CID:	125307549
Reduced:	N3O5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	461.195071
ΔH_f, kcal/mol:	-101.55
Dipole, Da:	0.8
IP(EA), eV:	-8.31(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R,3S,3aR,6aR)-5'-ethyl-2',4,6-trioxo-5-(2-phenylethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanoic acid

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

COC1=C(C=C(C=C1)[C@@H]2[C@H]3C(=C4C=CC=CC4=N3)C[C@H]5N2C(=O)CN(C5=O)CCO)OC

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

COC1=C(C=C(C=C1)[C@@H]2[C@H]3C(=C4C=CC=CC4=N3)C[C@H]5N2C(=O)CN(C5=O)CCO)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):