Geometry & MOs

Info

ID:	234751
PubChem CID:	92303434
Reduced:	ClO3N5H10C18 (1)
Stoich.:	AB3C5D10E18 (1)
Weight, g/mol:	403.050588
ΔH_f, kcal/mol:	48.0
Dipole, Da:	7.01
IP(EA), eV:	-9.52(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2S)-1-(6-chloro-3-oxoquinoxalin-2-ylidene)-2-hydroxy-2-(2-hydroxyphenyl)ethyl]amino]thiourea

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CC=C(O2)/C=C(/C#N)\C3=C(C(=NN3)N)C#N)C(=O)O)Cl

DOS

IR

Vibrations