Geometry & MOs

Info

ID:	41122
PubChem CID:	8145292
Reduced:	SO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	402.157957
ΔH_f, kcal/mol:	-16.59
Dipole, Da:	8.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.855615
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C[NH+](C)CC2=NC3=C(C4=C(S3)CCC4)C(=O)N2

DOS

IR

Vibrations