Geometry & MOs

Info

ID:	33391
PubChem CID:	7886228
Reduced:	SO2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	386.032975
ΔH_f, kcal/mol:	-41.51
Dipole, Da:	2.88
IP(EA), eV:	-9.18(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)CN1C=NC2=C(C1=O)C=C(S2)C3=CC=CC=C3

DOS

IR

Vibrations