Geometry & MOs

Info

ID:	167714
PubChem CID:	74861738
Reduced:	SN2O5H20C23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	452.140593
ΔH_f, kcal/mol:	-63.7
Dipole, Da:	1.15
IP(EA), eV:	-9.08(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(2,4-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NC(=CS2)COC(=O)C=CC3=CC(=C(C=C3)OCC#N)OC

DOS

IR

Vibrations