Geometry & MOs

Info

ID:	322672
PubChem CID:	126670770
Reduced:	SN2O5C27H38 (1)
Stoich.:	AB2C5D27E38 (1)
Weight, g/mol:	354.072921
ΔH_f, kcal/mol:	-212.06
Dipole, Da:	0.86
IP(EA), eV:	-8.89(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-acetamidoethylcarbamoyl)quinoxalin-2-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1CNCCC2=C(C(=C(S2)CC3CCC4(CC3)OCCO4)C)C(=O)OC)OC)C

DOS

IR

Vibrations