Geometry & MOs

Info

ID:	405679
PubChem CID:	135074993
Reduced:	ClNO4H16C18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	461.162057
ΔH_f, kcal/mol:	-114.84
Dipole, Da:	2.85
IP(EA), eV:	-8.95(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(2-cyclopropylideneethyl)-2-[[1-(4-methylphenyl)sulfonyltriazol-4-yl]methyl]propanedioate

Drug info:

PubChemData

Smile

COC(=O)OC/C=C/C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations