Geometry & MOs

Info

ID:	33622
PubChem CID:	7887255
Reduced:	NSO3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	370.044585
ΔH_f, kcal/mol:	-109.66
Dipole, Da:	4.27
IP(EA), eV:	-9.05(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-7-hydroxychromen-2-one

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)COC(=O)C1=CC2=CC=CC=C2S1

DOS

IR

Vibrations