Geometry & MOs

Info

ID:	178022
PubChem CID:	76264789
Reduced:	ClSO2N3H18C22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	25.59
Dipole, Da:	7.65
IP(EA), eV:	-9.05(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=NC2=O)CCC(=O)NC(C3=CC=C(C=C3)Cl)C4=CC=CS4)C=C1

DOS

IR

Vibrations