Geometry & MOs

Info

ID:	235010
PubChem CID:	92303873
Reduced:	SN2O2C20H22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-61.14
Dipole, Da:	1.36
IP(EA), eV:	-8.97(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2R)-butan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=CC(=C1)[C@@H]2N(C(=O)CS2)C3=C(C=C(C=C3)C)C

DOS

IR

Vibrations