Geometry & MOs

Info

ID:	337970
PubChem CID:	127258593
Reduced:	NSO8C16H19 (1)
Stoich.:	ABC8D16E19 (1)
Weight, g/mol:	282.07895
ΔH_f, kcal/mol:	-317.28
Dipole, Da:	12.46
IP(EA), eV:	-10.37(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dichloro-3-oxooctyl) butanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)NC(S2(=O)=O)(CCCC(=O)O)OCCCC(=O)O

DOS

IR

Vibrations