Geometry & MOs

Info

ID:	62079
PubChem CID:	26717469
Reduced:	OCl2N2H18C19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	456.067734
ΔH_f, kcal/mol:	-15.92
Dipole, Da:	3.32
IP(EA), eV:	-8.6(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)CCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations