Geometry & MOs

Info

ID:	181432
PubChem CID:	76747308
Reduced:	OCl2N7C26H35 (1)
Stoich.:	AB2C7D26E35 (1)
Weight, g/mol:	448.182064
ΔH_f, kcal/mol:	5.97
Dipole, Da:	2.87
IP(EA), eV:	-9.08(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-yl]-1-(4-phenylphenyl)pentan-2-one

Drug info:

PubChemData

Smile

CC1CC(NN1)NC2=NC(=NC=C2Cl)CC3=CC(=C(C=C3C)C4CCN(CC4)C(=O)CN5CCC5)Cl

DOS

IR

Vibrations