Geometry & MOs

Info

ID:	153941
PubChem CID:	56313293
Reduced:	FN2O2C22H23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	409.182398
ΔH_f, kcal/mol:	-73.17
Dipole, Da:	2.76
IP(EA), eV:	-9.19(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-(3-phenylbutyl)propanamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)CCC1=NC=C(O1)C2=CC=C(C=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations