Geometry & MOs

Info

ID:	140199
PubChem CID:	52660978
Reduced:	OCl2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	421.12269
ΔH_f, kcal/mol:	33.32
Dipole, Da:	2.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761254
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R)-1-(2-chlorophenyl)ethyl]-cyclopropylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Cl)[NH+](CC(=O)NC2=NC=C(C=C2)Cl)C3CC3

DOS

IR

Vibrations