Geometry & MOs

Info

ID:	322722
PubChem CID:	126670904
Reduced:	PS2N3O7C16H22 (1)
Stoich.:	AB2C3D7E16F22 (1)
Weight, g/mol:	477.130102
ΔH_f, kcal/mol:	-327.94
Dipole, Da:	3.96
IP(EA), eV:	-9.01(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-dimethoxy-4-[[3-(propan-2-ylcarbamoyl)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(C)C

DOS

IR

Vibrations