Geometry & MOs

Info

ID:	387762
PubChem CID:	134986773
Reduced:	N2Cl3C9H15 (1)
Stoich.:	A2B3C9D15 (1)
Weight, g/mol:	219.10243
ΔH_f, kcal/mol:	-20.6
Dipole, Da:	1.12
IP(EA), eV:	-9.24(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-methyl-1-[(2R,6S)-6-methyl-2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl]but-3-en-1-ol

Drug info:

PubChemData

Smile

CC(C)/C(=N/N=C(C)C)/CC(Cl)(Cl)Cl

DOS

IR

Vibrations