Geometry & MOs

Info

ID:	235281
PubChem CID:	92304335
Reduced:	N2O3C25H32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-100.27
Dipole, Da:	3.81
IP(EA), eV:	-8.2(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2S)-butan-2-yl]-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C[C@@H](C1=CC(=CC(=C1)OC)OC)C2=CN(C3=CC=CC=C32)CC

DOS

IR

Vibrations