Geometry & MOs

Info

ID:	151459
PubChem CID:	53812380
Reduced:	ClO2C16H29 (1)
Stoich.:	AB2C16D29 (1)
Weight, g/mol:	441.218509
ΔH_f, kcal/mol:	-136.19
Dipole, Da:	3.05
IP(EA), eV:	-10.28(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-amino-1-methoxy-1,8-dioxopentadecan-2-yl)benzenesulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCOC(=O)C(=C)Cl

DOS

IR

Vibrations