Geometry & MOs

Info

ID:	77667
PubChem CID:	49658614
Reduced:	ClFSO2N4H20C25 (1)
Stoich.:	ABCD2E4F20G25 (1)
Weight, g/mol:	470.177647
ΔH_f, kcal/mol:	-29.14
Dipole, Da:	5.38
IP(EA), eV:	-9.02(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)N3C=CN=C3SCC(=O)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations