Geometry & MOs

Info

ID:	35683
PubChem CID:	7980193
Reduced:	SN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	358.116486
ΔH_f, kcal/mol:	-70.37
Dipole, Da:	2.7
IP(EA), eV:	-8.52(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations