Geometry & MOs

Info

ID:	38272
PubChem CID:	8028822
Reduced:	NSO3H21C23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	391.124215
ΔH_f, kcal/mol:	-54.17
Dipole, Da:	4.63
IP(EA), eV:	-8.78(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2C3=CC=CC=C3[C@@](C2=O)(CC(=O)C4=CC=CS4)O)C

DOS

IR

Vibrations