Geometry & MOs

Info

ID:	388537
PubChem CID:	134989423
Reduced:	O2C5H8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	258.022977
ΔH_f, kcal/mol:	-185.42
Dipole, Da:	1.89
IP(EA), eV:	-10.52(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-nitrophenyl)sulfanyl-N-propan-2-ylmethanimidoyl chloride

Drug info:

PubChemData

Smile

CC/C(=C\C(=O)OC)/CCC(=O)OC

DOS

IR

Vibrations