Geometry & MOs

Info

ID:	201760
PubChem CID:	79577664
Reduced:	OSN3C14H23 (1)
Stoich.:	ABC3D14E23 (1)
Weight, g/mol:	306.151433
ΔH_f, kcal/mol:	-41.55
Dipole, Da:	6.17
IP(EA), eV:	-8.96(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-2-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CCNC1CCCC1CCSC2=NC(=O)C=C(N2)C

DOS

IR

Vibrations