Geometry & MOs

Info

ID:	77695
PubChem CID:	49658651
Reduced:	FSO2N5H20C26 (1)
Stoich.:	ABC2D5E20F26 (1)
Weight, g/mol:	478.127503
ΔH_f, kcal/mol:	9.75
Dipole, Da:	5.94
IP(EA), eV:	-9.41(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(2-fluorophenyl)methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=CC(=CC=C2)N3C=CN=C3SCC(=O)NC4=CC=C(C=C4)C#N)F

DOS

IR

Vibrations