Geometry & MOs

Info

ID:	326910
PubChem CID:	126688637
Reduced:	ClN4O4C21H21 (1)
Stoich.:	AB4C4D21E21 (1)
Weight, g/mol:	498.157306
ΔH_f, kcal/mol:	-96.7
Dipole, Da:	4.34
IP(EA), eV:	-8.71(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

C1COCC(=O)N1C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)Cl)CCCO

DOS

IR

Vibrations