Geometry & MOs

Info

ID:	33428
PubChem CID:	7886400
Reduced:	OS2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	399.107519
ΔH_f, kcal/mol:	-9.81
Dipole, Da:	6.3
IP(EA), eV:	-8.92(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-methoxyphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)SC1=NC=NC2=C1C3=C(S2)CCCC3

DOS

IR

Vibrations