Geometry & MOs

Info

ID:	234965
PubChem CID:	92303798
Reduced:	N2O3H24C26 (1)
Stoich.:	A2B3C24D26 (1)
Weight, g/mol:	412.178693
ΔH_f, kcal/mol:	-35.25
Dipole, Da:	4.79
IP(EA), eV:	-8.42(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H](C2=C3C(=CC=C2)OCO3)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations