Geometry & MOs

Info

ID:	77688
PubChem CID:	49658643
Reduced:	FSO3N4H23C26 (1)
Stoich.:	ABC3D4E23F26 (1)
Weight, g/mol:	485.132174
ΔH_f, kcal/mol:	-60.14
Dipole, Da:	6.48
IP(EA), eV:	-8.16(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations