Geometry & MOs

Info

ID:	173765
PubChem CID:	75679643
Reduced:	SO2N4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	404.245036
ΔH_f, kcal/mol:	-33.14
Dipole, Da:	19.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.842874
Charge, e:	1

Chem-info

IUPAC name:

(4-methyl-6-oxo-2-piperidin-1-yl-5H-pyrimidin-5-yl)methyl-[(4-methylphenyl)-pyridin-3-ylmethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)C2=CN=C3N(C2=O)C(=CS3)C)[NH+](C)C

DOS

IR

Vibrations