Geometry & MOs

Info

ID:	322724
PubChem CID:	126670906
Reduced:	PS2N3O7C14H18 (1)
Stoich.:	AB2C3D7E14F18 (1)
Weight, g/mol:	449.098802
ΔH_f, kcal/mol:	-311.63
Dipole, Da:	5.29
IP(EA), eV:	-9.03(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-dimethoxy-4-[[3-(methylcarbamoyl)quinoxalin-2-yl]oxymethyl]phenyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1=C(SC(=NC(=O)C)N1CC2=CC=C(C=C2)OP(=O)(O)O)S(=O)(=O)NC

DOS

IR

Vibrations