Geometry & MOs

Info

ID:	326823
PubChem CID:	126688295
Reduced:	N3O6C16H23 (1)
Stoich.:	A3B6C16D23 (1)
Weight, g/mol:	512.172956
ΔH_f, kcal/mol:	-200.28
Dipole, Da:	8.95
IP(EA), eV:	-8.42(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC(=O)OCCCNC1=C(C=C(C=C1)NC(=O)OC(C)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations