Geometry & MOs

Info

ID:	77710
PubChem CID:	49658686
Reduced:	ClSO3N4H21C24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	436.193297
ΔH_f, kcal/mol:	-15.14
Dipole, Da:	4.61
IP(EA), eV:	-8.68(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-[2-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NCC4=CC=CO4)Cl

DOS

IR

Vibrations