Geometry & MOs

Info

ID:	227309
PubChem CID:	87561187
Reduced:	ClNNaSO3H6C9 (1)
Stoich.:	ABCDE3F6G9 (1)
Weight, g/mol:	382.319543
ΔH_f, kcal/mol:	-143.16
Dipole, Da:	7.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.145590
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-16-[[ethyl(methyl)carbamoyl]-methylamino]hexadec-11-enoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=N2)Cl)S(=O)(=O)O.[Na]

DOS

IR

Vibrations