Geometry & MOs

Info

ID:	77707
PubChem CID:	49658677
Reduced:	SF2O3N4H18C23 (1)
Stoich.:	AB2C3D4E18F23 (1)
Weight, g/mol:	466.086639
ΔH_f, kcal/mol:	-88.77
Dipole, Da:	8.29
IP(EA), eV:	-9.02(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(furan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NC3=C(C=C(C=C3)F)F)C(=O)NCC4=CC=CO4

DOS

IR

Vibrations