Geometry & MOs

Info

ID:	22999
PubChem CID:	600747
Reduced:	SN2O3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	302.072513
ΔH_f, kcal/mol:	-52.82
Dipole, Da:	4.18
IP(EA), eV:	-9.21(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]but-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C=CC(=O)NC1=NC(=CS1)C2=CC=CC=C2

DOS

IR

Vibrations