Geometry & MOs

Info

ID:	33410
PubChem CID:	7886329
Reduced:	FOSN5C19H20 (1)
Stoich.:	ABCD5E19F20 (1)
Weight, g/mol:	387.087533
ΔH_f, kcal/mol:	19.34
Dipole, Da:	5.86
IP(EA), eV:	-9.22(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)F)C(=O)CSC2=NN=NN2C3=C(C=C(C=C3)C)C

DOS

IR

Vibrations