Geometry & MOs

Info

ID:	77693
PubChem CID:	49658649
Reduced:	FSO3N4H23C26 (1)
Stoich.:	ABC3D4E23F26 (1)
Weight, g/mol:	490.14749
ΔH_f, kcal/mol:	-60.83
Dipole, Da:	5.88
IP(EA), eV:	-8.81(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4F

DOS

IR

Vibrations