Geometry & MOs

Info

ID:	169594
PubChem CID:	75123160
Reduced:	SN4O4C22H30 (1)
Stoich.:	AB4C4D22E30 (1)
Weight, g/mol:	392.122835
ΔH_f, kcal/mol:	-136.63
Dipole, Da:	4.93
IP(EA), eV:	-9.28(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6-dimethyl-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-(2-methylphenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CCCCN1C2C(C(=O)NC1=O)N(C(=N2)COC(=O)CSC3=CC=CC=C3C)CCC

DOS

IR

Vibrations