Geometry & MOs

Info

ID:	388100
PubChem CID:	134988167
Reduced:	ClNSO3H6C7 (1)
Stoich.:	ABCD3E6F7 (1)
Weight, g/mol:	250.921069
ΔH_f, kcal/mol:	-15.25
Dipole, Da:	5.88
IP(EA), eV:	-9.43(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(2-chloro-4-nitrophenyl) chloromethanethioate

Drug info:

PubChemData

Smile

C1CC2C1C(=O)N(C2=O)OC(=S)Cl

DOS

IR

Vibrations