Geometry & MOs

Info

ID:	86215
PubChem CID:	49882971
Reduced:	S2O3N4C24H30 (1)
Stoich.:	A2B3C4D24E30 (1)
Weight, g/mol:	504.105661
ΔH_f, kcal/mol:	-68.63
Dipole, Da:	4.08
IP(EA), eV:	-9.03(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C(C)SC2=NN=C(N2CC)CS(=O)(=O)C3=CC=C(C=C3)C)C

DOS

IR

Vibrations