Geometry & MOs

Info

ID:	34312
PubChem CID:	7890731
Reduced:	NSO6C19H25 (1)
Stoich.:	ABC6D19E25 (1)
Weight, g/mol:	394.098728
ΔH_f, kcal/mol:	-246.11
Dipole, Da:	9.2
IP(EA), eV:	-9.73(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethyl] 2-hydroxybenzoate

Drug info:

PubChemData

Smile

C1CCC(CC1)N([C@@H]2CCS(=O)(=O)C2)C(=O)COC(=O)C3=CC=CC=C3O

DOS

IR

Vibrations