Geometry & MOs

Info

ID:	405147
PubChem CID:	135072782
Reduced:	N2O4H15C18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	337.171165
ΔH_f, kcal/mol:	-46.84
Dipole, Da:	4.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.017346
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)sulfonyl-3-prop-2-enyloctanamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1/C(=C(/C(=O)CC2=CC=CC=C2)\[N+]#N)/O

DOS

IR

Vibrations