Geometry & MOs

Info

ID:	404041
PubChem CID:	135064726
Reduced:	NO4C14H25 (1)
Stoich.:	AB4C14D25 (1)
Weight, g/mol:	318.069258
ΔH_f, kcal/mol:	-210.64
Dipole, Da:	3.89
IP(EA), eV:	-9.88(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-chloro-6-oxoheptyl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCC[C@H](C(=C)C(=O)OCC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations