Geometry & MOs

Info

ID:	189480
PubChem CID:	77863940
Reduced:	ClSN2O4C20H29 (1)
Stoich.:	ABC2D4E20F29 (1)
Weight, g/mol:	491.267173
ΔH_f, kcal/mol:	-181.7
Dipole, Da:	4.68
IP(EA), eV:	-9.48(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2,4-trimethyl-1-propanoyloxyheptan-4-yl) 2-cyano-3-(4-methoxyphenyl)-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)OC1CCC2CCC1N2S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations