Geometry & MOs

Info

ID:	370363
PubChem CID:	127338228
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	363.053376
ΔH_f, kcal/mol:	-88.93
Dipole, Da:	2.73
IP(EA), eV:	-9.13(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CCC4(CC3)CC4C(=O)O

DOS

IR

Vibrations