Geometry & MOs

Info

ID:	178262
PubChem CID:	76306415
Reduced:	SN4O4C25H32 (1)
Stoich.:	AB4C4D25E32 (1)
Weight, g/mol:	406.24543
ΔH_f, kcal/mol:	-130.38
Dipole, Da:	5.33
IP(EA), eV:	-8.56(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(4-amino-1,3-dimethyl-2,6-dioxo-5H-pyrimidin-3-ium-5-yl)-2-oxoethyl]-N-cyclohexylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2C1C(=O)NC(N2)CN3CCC(CC3)C4=CC5=CC=CC=C5N4)C(=O)OCCOC

DOS

IR

Vibrations