Geometry & MOs

Info

ID:	184255
PubChem CID:	77135586
Reduced:	SN3O7C9H13 (1)
Stoich.:	AB3C7D9E13 (1)
Weight, g/mol:	302.072513
ΔH_f, kcal/mol:	-283.64
Dipole, Da:	3.3
IP(EA), eV:	-10.21(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-phenylprop-2-enoylamino)ethyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1)S(=O)(=O)NC2COCC2C(=O)O

DOS

IR

Vibrations