Geometry & MOs

Info

ID:	140314
PubChem CID:	52681554
Reduced:	N4O5C23H27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	432.102289
ΔH_f, kcal/mol:	-110.99
Dipole, Da:	2.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.784962
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chlorophenyl)-methylsulfamoyl]-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C[N+]1=CNC=C1)NC(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)OC)OC

DOS

IR

Vibrations