Geometry & MOs

Info

ID:	29318
PubChem CID:	832928
Reduced:	SN2O4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	321.0404
ΔH_f, kcal/mol:	-133.48
Dipole, Da:	1.28
IP(EA), eV:	-8.88(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) 2-(4-chloro-2-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C([C@H](N(C(=S)N1)C(=O)C)C2=CC=C(C=C2)OC)C(=O)OC

DOS

IR

Vibrations