Geometry & MOs

Info

ID:	440467
PubChem CID:	135230444
Reduced:	FO2N3C15H18 (2)
Stoich.:	AB2C3D15E18 (2)
Weight, g/mol:	517.138402
ΔH_f, kcal/mol:	-153.23
Dipole, Da:	6.64
IP(EA), eV:	-8.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-N-[6-[[1-(3-methylpyridin-2-yl)benzimidazol-2-yl]sulfanylmethyl]pyridin-2-yl]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

CCN1C[C@H]([C@@H](O1)C2=CC(=C(C=C2)F)F)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)OCC5CCN(CC5)C(=O)C)C

DOS

IR

Vibrations