Geometry & MOs

Info

ID:	405022
PubChem CID:	135072139
Reduced:	ClNO2H6C12 (1)
Stoich.:	ABC2D6E12 (1)
Weight, g/mol:	339.150429
ΔH_f, kcal/mol:	4.97
Dipole, Da:	6.9
IP(EA), eV:	-9.78(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-methyloct-6-en-2-yl(methylsulfonyl)amino] benzoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)C(=O)C(=CO2)/C=C/C#N

DOS

IR

Vibrations