Geometry & MOs

Info

ID:	133409
PubChem CID:	51522358
Reduced:	NSO3H18C21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	435.155611
ΔH_f, kcal/mol:	-12.26
Dipole, Da:	6.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.091420
Charge, e:	-1

Chem-info

IUPAC name:

(2R)-3-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

C1[C@H]2C=C[C@@H]1[C@@H]([C@H]2C(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C(=O)[O-]

DOS

IR

Vibrations