Geometry & MOs

Info

ID:	326828
PubChem CID:	126688303
Reduced:	SN4O6C22H24 (1)
Stoich.:	AB4C6D22E24 (1)
Weight, g/mol:	448.185903
ΔH_f, kcal/mol:	-166.91
Dipole, Da:	4.52
IP(EA), eV:	-8.61(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylbenzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NC3=C(N2CCCO)C=CC(=C3)N4CCOCC4=O

DOS

IR

Vibrations