Geometry & MOs

Info

ID:	322673
PubChem CID:	126670772
Reduced:	PN4O6C13H15 (1)
Stoich.:	AB4C6D13E15 (1)
Weight, g/mol:	516.141001
ΔH_f, kcal/mol:	-269.17
Dipole, Da:	4.4
IP(EA), eV:	-9.87(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-dihydroxyphosphanyloxyphenyl)methyl [3-[2-(2-methylpropanoylamino)ethylcarbamoyl]quinoxalin-2-yl] carbonate

Drug info:

PubChemData

Smile

CC(=O)NCCNC(=O)C1=NC2=CC=CC=C2N=C1OP(=O)(O)O

DOS

IR

Vibrations