Geometry & MOs

Info

ID:	56702
PubChem CID:	22388050
Reduced:	ClN4O4H15C17 (1)
Stoich.:	AB4C4D15E17 (1)
Weight, g/mol:	214.021914
ΔH_f, kcal/mol:	-26.14
Dipole, Da:	5.79
IP(EA), eV:	-9.73(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl 2-chloro-4-ethylbenzenecarbothioate

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1N=C(N2CC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C)C(=O)OC

DOS

IR

Vibrations