Geometry & MOs

Info

ID:	124722
PubChem CID:	50893971
Reduced:	SN2Cl4O5H8C14 (1)
Stoich.:	AB2C4D5E8F14 (1)
Weight, g/mol:	322.002635
ΔH_f, kcal/mol:	-89.98
Dipole, Da:	8.28
IP(EA), eV:	-10.37(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetyl chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations