Geometry & MOs

Info

ID:	33312
PubChem CID:	7885899
Reduced:	SN3O4H17C19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	402.070799
ΔH_f, kcal/mol:	-102.93
Dipole, Da:	2.85
IP(EA), eV:	-8.72(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4

DOS

IR

Vibrations