Geometry & MOs

Info

ID:	32963
PubChem CID:	7849714
Reduced:	SO4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	337.131408
ΔH_f, kcal/mol:	-129.7
Dipole, Da:	4.59
IP(EA), eV:	-9.69(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-acetylanilino)-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations