Geometry & MOs

Info

ID:	77676
PubChem CID:	49658628
Reduced:	ClO2S2N4H19C23 (1)
Stoich.:	AB2C2D4E19F23 (1)
Weight, g/mol:	478.113333
ΔH_f, kcal/mol:	25.63
Dipole, Da:	9.66
IP(EA), eV:	-8.95(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(thiophen-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NC3=CC(=CC=C3)Cl)C(=O)NCC4=CC=CS4

DOS

IR

Vibrations