Geometry & MOs

Info

ID:	440320
PubChem CID:	135230267
Reduced:	SN5H15C17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	506.133651
ΔH_f, kcal/mol:	128.27
Dipole, Da:	4.61
IP(EA), eV:	-8.76(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1N2C3=CC=CC=C3N=C2SCC4=CC=CC=N4

DOS

IR

Vibrations