Geometry & MOs

Info

ID:	142725
PubChem CID:	53082294
Reduced:	FSO3N4H21C24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	474.152575
ΔH_f, kcal/mol:	-51.69
Dipole, Da:	3.77
IP(EA), eV:	-8.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations