Geometry & MOs

Info

ID:	35448
PubChem CID:	7979883
Reduced:	ClN2O5H13C16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	326.012806
ΔH_f, kcal/mol:	-84.47
Dipole, Da:	5.52
IP(EA), eV:	-9.47(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-N-(thiophen-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations