Geometry & MOs

Info

ID:	7015
PubChem CID:	70981
Reduced:	ClNSO2H6C7 (1)
Stoich.:	ABCD2E6F7 (1)
Weight, g/mol:	202.980777
ΔH_f, kcal/mol:	12.42
Dipole, Da:	4.81
IP(EA), eV:	-9.14(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-methylsulfanyl-2-nitrobenzene

Drug info:

PubChemData

Smile

CSC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations