Geometry & MOs

Info

ID:	319567
PubChem CID:	126656641
Reduced:	INH14C22 (1)
Stoich.:	ABC14D22 (1)
Weight, g/mol:	394.102862
ΔH_f, kcal/mol:	114.74
Dipole, Da:	0.33
IP(EA), eV:	-8.29(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(2-fluoro-4-methylsulfonylphenyl)-4-N,1-dimethyl-4-N-methylphosphanylbenzimidazole-4,6-diamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4N3C5=CC=C(C=C5)I

DOS

IR

Vibrations