Geometry & MOs

Info

ID:	64647
PubChem CID:	29203761
Reduced:	FO2S2N3C21H22 (1)
Stoich.:	AB2C2D3E21F22 (1)
Weight, g/mol:	431.113747
ΔH_f, kcal/mol:	-99.78
Dipole, Da:	4.57
IP(EA), eV:	-8.84(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[3-[2-(4-fluorophenyl)ethyl]-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N)SC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CCC4=CC=C(C=C4)F

DOS

IR

Vibrations