Geometry & MOs

Info

ID:	234960
PubChem CID:	92303789
Reduced:	OS2N3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	416.142219
ΔH_f, kcal/mol:	55.46
Dipole, Da:	5.3
IP(EA), eV:	-8.46(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-butyl-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(=C)CSC1=NN=C(S1)NC(=O)[C@@H]2C[C@H]2C3=CC=CC=C3

DOS

IR

Vibrations