Geometry & MOs

Info

ID:	328859
PubChem CID:	126728389
Reduced:	NSO5H11C16 (1)
Stoich.:	ABC5D11E16 (1)
Weight, g/mol:	350.212695
ΔH_f, kcal/mol:	-104.05
Dipole, Da:	17.97
IP(EA), eV:	-8.25(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-sulfoheptadecanoic acid

Drug info:

PubChemData

Smile

CC1=C/C(=C\2/C=C/C(=C/3\C(=O)C(C(=O)C(=O)C3=O)O)/S2)/C=CN1

DOS

IR

Vibrations