Geometry & MOs

Info

ID:	137071
PubChem CID:	52148908
Reduced:	F2N2O4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	367.171834
ΔH_f, kcal/mol:	-206.99
Dipole, Da:	2.49
IP(EA), eV:	-8.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S)-1-phenylethyl]amino]-3-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)CNC(=O)C(=O)NC2=C(C=CC=C2F)F)OC

DOS

IR

Vibrations