Geometry & MOs

Info

ID:	234808
PubChem CID:	92303536
Reduced:	SN2O3H22C24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	364.178693
ΔH_f, kcal/mol:	-53.71
Dipole, Da:	4.92
IP(EA), eV:	-8.89(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[C@H]3N(C(=O)CS3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations