Geometry & MOs

Info

ID:	326882
PubChem CID:	126688542
Reduced:	ClSO5N7C23H28 (1)
Stoich.:	ABC5D7E23F28 (1)
Weight, g/mol:	490.148633
ΔH_f, kcal/mol:	-100.96
Dipole, Da:	6.29
IP(EA), eV:	-8.47(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[1-(3-methylsulfinylpropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=C(C(=N2)N[C@@H]3COC4C3OC[C@@H]4NS(=O)(=O)CCOCC5=CC=CC=C5)Cl

DOS

IR

Vibrations