Geometry & MOs

Info

ID:	440471
PubChem CID:	135230450
Reduced:	O4F5N7H28C30 (1)
Stoich.:	A4B5C7D28E30 (1)
Weight, g/mol:	308.013474
ΔH_f, kcal/mol:	-265.73
Dipole, Da:	1.87
IP(EA), eV:	-9.19(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloropyrimidin-4-yl)-2-methylsulfonylbenzimidazole

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC(=C(N=C2)OC)C(=O)NC)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CC(F)(F)F

DOS

IR

Vibrations