Geometry & MOs

Info

ID:	195177
PubChem CID:	78650656
Reduced:	OCl2N3H15C21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	394.065714
ΔH_f, kcal/mol:	47.76
Dipole, Da:	4.54
IP(EA), eV:	-9.17(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(C=C2C=C1)C=C(C#N)C(=O)NC3=C(C(=CC=C3)Cl)C)Cl

DOS

IR

Vibrations