Geometry & MOs

Info

ID:	193929
PubChem CID:	78457570
Reduced:	FO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-116.17
Dipole, Da:	2.99
IP(EA), eV:	-9.55(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CC2C1NC(=O)NC2=O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations