Geometry & MOs

Info

ID:	77692
PubChem CID:	49658648
Reduced:	FSO2N4H23C26 (1)
Stoich.:	ABC2D4E23F26 (1)
Weight, g/mol:	490.14749
ΔH_f, kcal/mol:	-27.11
Dipole, Da:	6.72
IP(EA), eV:	-9.15(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4F

DOS

IR

Vibrations