Geometry & MOs

Info

ID:	77706
PubChem CID:	49658676
Reduced:	FSO3N4H19C23 (1)
Stoich.:	ABC3D4E19F23 (1)
Weight, g/mol:	468.106768
ΔH_f, kcal/mol:	-46.76
Dipole, Da:	1.88
IP(EA), eV:	-9.0(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(furan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NCC4=CC=CO4)F

DOS

IR

Vibrations