Geometry & MOs

Info

ID:	326838
PubChem CID:	126688367
Reduced:	F2N4O4C23H24 (1)
Stoich.:	A2B4C4D23E24 (1)
Weight, g/mol:	488.169368
ΔH_f, kcal/mol:	-186.06
Dipole, Da:	4.75
IP(EA), eV:	-8.31(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C(=O)COC1)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC=CC(=C4)C(F)F)CCCO

DOS

IR

Vibrations