Geometry & MOs

Info

ID:	234809
PubChem CID:	92303537
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	364.178693
ΔH_f, kcal/mol:	-72.42
Dipole, Da:	4.73
IP(EA), eV:	-8.49(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C[C@@H](C1=CC2=C(C=C1)OCO2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations