Geometry & MOs

Info

ID:	432304
PubChem CID:	135172437
Reduced:	PN2O2C17H22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	305.103
ΔH_f, kcal/mol:	-11.8
Dipole, Da:	10.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758924
Charge, e:	0

Chem-info

IUPAC name:

6-chlorohexyl 4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butanoate

Drug info:

PubChemData

Smile

C[N+]1(CCC1)CC2=CC=CC=C2P(=O)(C3=CC=CC=C3)ON

DOS

IR

Vibrations