Geometry & MOs

Info

ID:	326827
PubChem CID:	126688300
Reduced:	FN2O2C12H12 (2)
Stoich.:	AB2C2D12E12 (2)
Weight, g/mol:	472.141656
ΔH_f, kcal/mol:	-172.78
Dipole, Da:	3.56
IP(EA), eV:	-9.05(-1.04)
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-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

C1CC12COCC(=O)N2C3=CC4=C(C=C3)N(C(=N4)NC(=O)C5=CC=CC(=C5)C(F)F)CCCO

DOS

IR

Vibrations