Geometry & MOs

Info

ID:	326834
PubChem CID:	126688324
Reduced:	N3O6C16H23 (1)
Stoich.:	A3B6C16D23 (1)
Weight, g/mol:	460.138068
ΔH_f, kcal/mol:	-173.83
Dipole, Da:	9.89
IP(EA), eV:	-9.05(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C(=C1)NCCCO)[N+](=O)[O-])N2CCOCC2=O

DOS

IR

Vibrations