Geometry & MOs

Info

ID:	243967
PubChem CID:	99303050
Reduced:	SN2O4C23H34 (1)
Stoich.:	AB2C4D23E34 (1)
Weight, g/mol:	456.219512
ΔH_f, kcal/mol:	-191.0
Dipole, Da:	4.82
IP(EA), eV:	-9.27(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoyl]-N-propylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@H]1CCCN(C1)C(=O)C2(CCCC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations