Geometry & MOs

Info

ID:	17520
PubChem CID:	502717
Reduced:	SN4O5H16C19 (1)
Stoich.:	AB4C5D16E19 (1)
Weight, g/mol:	412.084141
ΔH_f, kcal/mol:	-122.53
Dipole, Da:	3.01
IP(EA), eV:	-9.18(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-4-oxo-2-[3-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)thiophen-2-yl]-1H-pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1C(NCC2=CC=CC=C21)C(=O)NC3=C(SC=C3)C4=NC(=O)C(=C(N4)C(=O)O)O

DOS

IR

Vibrations