Geometry & MOs

Info

ID:	77708
PubChem CID:	49658679
Reduced:	ClSO3N4H19C23 (1)
Stoich.:	ABC3D4E19F23 (1)
Weight, g/mol:	496.097204
ΔH_f, kcal/mol:	-14.98
Dipole, Da:	4.28
IP(EA), eV:	-8.98(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(furan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations