Geometry & MOs

Info

ID:	15204
PubChem CID:	433272
Reduced:	PCl2N2O6C13H23 (1)
Stoich.:	AB2C2D6E13F23 (1)
Weight, g/mol:	404.067079
ΔH_f, kcal/mol:	-346.45
Dipole, Da:	3.77
IP(EA), eV:	-9.98(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[bis(2-chloroethyl)amino]-11,11-dimethyl-4-oxo-3,7,10,12-tetraoxa-5-aza-4lambda5-phosphatricyclo[6.4.0.02,6]dodecan-6-yl]methanol

Drug info:

PubChemData

Smile

CC1(OCC2C(O1)C3C(O2)(NP(=O)(O3)N(CCCl)CCCl)CO)C

DOS

IR

Vibrations