Geometry & MOs

Info

ID:	234890
PubChem CID:	92303662
Reduced:	SN2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	-132.71
Dipole, Da:	3.22
IP(EA), eV:	-8.78(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(3-methylbutyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations