Geometry & MOs

Info

ID:	234898
PubChem CID:	92303673
Reduced:	SN2O2H24C25 (1)
Stoich.:	AB2C2D24E25 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-29.31
Dipole, Da:	5.18
IP(EA), eV:	-8.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2[C@@H](SCC2=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C)C

DOS

IR

Vibrations