Geometry & MOs

Info

ID:	36892
PubChem CID:	8014366
Reduced:	ClFN2S2O3H14C15 (1)
Stoich.:	ABC2D2E3F14G15 (1)
Weight, g/mol:	381.045313
ΔH_f, kcal/mol:	-129.06
Dipole, Da:	5.24
IP(EA), eV:	-9.18(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2=C(C=C(C=C2)Cl)F

DOS

IR

Vibrations