Geometry & MOs

Info

ID:	410583
PubChem CID:	135083383
Reduced:	SN2Cl3O3H13C16 (1)
Stoich.:	AB2C3D3E13F16 (1)
Weight, g/mol:	350.020872
ΔH_f, kcal/mol:	-91.07
Dipole, Da:	2.39
IP(EA), eV:	-9.87(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(4-nitrobenzoyl)-1,3-thiazole-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C(=O)NC(=O)CC2=CC=CC=C2)C(=O)CC(Cl)(Cl)Cl

DOS

IR

Vibrations