Geometry & MOs

Info

ID:	195857
PubChem CID:	78743205
Reduced:	SN2O6C17H24 (1)
Stoich.:	AB2C6D17E24 (1)
Weight, g/mol:	336.111007
ΔH_f, kcal/mol:	-238.96
Dipole, Da:	4.53
IP(EA), eV:	-10.03(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-cyanoanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCNC(=O)C(C)OC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2CCCO2

DOS

IR

Vibrations