Geometry & MOs

Info

ID:	37274
PubChem CID:	8019057
Reduced:	ClNSO3H18C19 (1)
Stoich.:	ABCD3E18F19 (1)
Weight, g/mol:	336.056921
ΔH_f, kcal/mol:	-87.06
Dipole, Da:	2.09
IP(EA), eV:	-8.73(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 2-methoxyacetate

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

DOS

IR

Vibrations