Geometry & MOs

Info

ID:	342310
PubChem CID:	127265087
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	330.103814
ΔH_f, kcal/mol:	-99.22
Dipole, Da:	1.05
IP(EA), eV:	-9.17(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-oxo-3-[2-(1,3-thiazol-2-yl)butan-2-ylamino]prop-1-enyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CCCC(=O)NCC(=O)O

DOS

IR

Vibrations