Geometry & MOs

Info

ID:	33992
PubChem CID:	7889314
Reduced:	ON2S2H14C16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	342.013285
ΔH_f, kcal/mol:	40.88
Dipole, Da:	4.02
IP(EA), eV:	-8.99(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)chromen-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)[C@@H](C)SC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations