Geometry & MOs

Info

ID:	194550
PubChem CID:	78554149
Reduced:	NSO7C18H23 (1)
Stoich.:	ABC7D18E23 (1)
Weight, g/mol:	396.114378
ΔH_f, kcal/mol:	-291.36
Dipole, Da:	2.65
IP(EA), eV:	-8.62(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-(furan-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC1=C(C(=C(S1)NC(=O)COC(=O)C=CC(=O)OCC)C(=O)OCC)C

DOS

IR

Vibrations