Geometry & MOs

Info

ID:	436714
PubChem CID:	135208014
Reduced:	S2N3O4H11C16 (1)
Stoich.:	A2B3C4D11E16 (1)
Weight, g/mol:	267.100777
ΔH_f, kcal/mol:	-38.0
Dipole, Da:	3.92
IP(EA), eV:	-9.01(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(quinolin-3-ylamino)pyridin-4-yl]methanediol

Drug info:

PubChemData

Smile

CN1C(=O)/C(=C\OC2=CC=C(O2)SC3=NC4=CC=CC=C4N3)/SC1=O

DOS

IR

Vibrations