Geometry & MOs

Info

ID:	67460
PubChem CID:	46506519
Reduced:	SN4O5H28C29 (1)
Stoich.:	AB4C5D28E29 (1)
Weight, g/mol:	276.013953
ΔH_f, kcal/mol:	-105.48
Dipole, Da:	4.92
IP(EA), eV:	-8.45(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-pteridin-4-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)NCCC5=C(C=C(C=C5)OC)OC

DOS

IR

Vibrations