Geometry & MOs

Info

ID:	215824
PubChem CID:	85085302
Reduced:	O4C7H14 (1)
Stoich.:	A4B7C14 (1)
Weight, g/mol:	163.030314
ΔH_f, kcal/mol:	-203.04
Dipole, Da:	2.76
IP(EA), eV:	-10.46(1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfinyl-1-nitroprop-1-ene

Drug info:

PubChemData

Smile

C1C(C(C(C1O)O)O)CCO

DOS

IR

Vibrations