Geometry & MOs

Info

ID:	195403
PubChem CID:	78682306
Reduced:	SO2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	396.043437
ΔH_f, kcal/mol:	18.44
Dipole, Da:	3.01
IP(EA), eV:	-8.53(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-(2,4,5-trimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(O3)C4CC4

DOS

IR

Vibrations