Geometry & MOs

Info

ID:	194683
PubChem CID:	78575108
Reduced:	ClSN2O2C21H23 (1)
Stoich.:	ABC2D2E21F23 (1)
Weight, g/mol:	356.125988
ΔH_f, kcal/mol:	-62.48
Dipole, Da:	2.33
IP(EA), eV:	-8.45(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxyphenyl)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

DOS

IR

Vibrations