Geometry & MOs

Info

ID:	77686
PubChem CID:	49658639
Reduced:	FO2S2N4H21C24 (1)
Stoich.:	AB2C2D4E21F24 (1)
Weight, g/mol:	476.134068
ΔH_f, kcal/mol:	-16.63
Dipole, Da:	4.38
IP(EA), eV:	-8.77(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]-N-(thiophen-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NCC3=CC=C(C=C3)F)C(=O)NCC4=CC=CS4

DOS

IR

Vibrations