Geometry & MOs

Info

ID:	440269
PubChem CID:	135230200
Reduced:	OSF3N7C18H18 (1)
Stoich.:	ABC3D7E18F18 (1)
Weight, g/mol:	538.079029
ΔH_f, kcal/mol:	-35.4
Dipole, Da:	3.32
IP(EA), eV:	-8.89(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]sulfanylmethyl]pyridin-2-yl]-2,2-difluoro-2-phenoxyacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2C(=N)N(C)N=N)OCC(F)(F)F

DOS

IR

Vibrations