Geometry & MOs

Info

ID:	309192
PubChem CID:	126539874
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	437.189689
ΔH_f, kcal/mol:	-14.6
Dipole, Da:	3.91
IP(EA), eV:	-8.78(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-6-fluoro-3-(methylideneamino)-2-[1-[4-methyl-1-(2-methylsulfonylethyl)piperidin-4-yl]ethylidene]-1H-benzimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N(C)C1=CC=C(C=C1)CCNN

DOS

IR

Vibrations