Geometry & MOs

Info

ID:	235088
PubChem CID:	92304016
Reduced:	SN2O2H24C25 (1)
Stoich.:	AB2C2D24E25 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	-33.24
Dipole, Da:	6.21
IP(EA), eV:	-8.77(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1,3-benzodioxol-5-yl)-N-butyl-3-(7-ethyl-1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)[C@@H]3N(C(=O)CS3)C4=CC(=CC(=C4)C)C

DOS

IR

Vibrations