Geometry & MOs

Info

ID:	28412
PubChem CID:	827445
Reduced:	N2S2O3H4C7 (1)
Stoich.:	A2B2C3D4E7 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	20.32
Dipole, Da:	5.42
IP(EA), eV:	-9.41(-2.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(S1)[N+](=O)[O-])SC#N

DOS

IR

Vibrations