Geometry & MOs

Info

ID:	64193
PubChem CID:	29198143
Reduced:	SO2N3C23H30 (1)
Stoich.:	AB2C3D23E30 (1)
Weight, g/mol:	348.147393
ΔH_f, kcal/mol:	-21.87
Dipole, Da:	5.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.216191
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-3-(furan-2-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)[NH+]4CCCCC4)C

DOS

IR

Vibrations