Geometry & MOs

Info

ID:	77689
PubChem CID:	49658644
Reduced:	FSO2N5H20C26 (1)
Stoich.:	ABC2D5E20F26 (1)
Weight, g/mol:	478.127503
ΔH_f, kcal/mol:	13.22
Dipole, Da:	3.73
IP(EA), eV:	-8.88(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(4-fluorophenyl)methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations