Geometry & MOs

Info

ID:	68948
PubChem CID:	46513477
Reduced:	SO3N4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	434.100181
ΔH_f, kcal/mol:	-11.24
Dipole, Da:	1.98
IP(EA), eV:	-8.79(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)-2-methylpropyl]-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)NC(C3=CC=C(C=C3)OC)C4=NC=CN4C

DOS

IR

Vibrations