Geometry & MOs

Info

ID:	229792
PubChem CID:	87569061
Reduced:	O10C27H48 (1)
Stoich.:	A10B27C48 (1)
Weight, g/mol:	448.098858
ΔH_f, kcal/mol:	-527.19
Dipole, Da:	4.98
IP(EA), eV:	-10.55(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one;diazinane

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)(CC(=O)OCC(CO)O)C(=O)O

DOS

IR

Vibrations