Geometry & MOs

Info

ID:	178175
PubChem CID:	76290345
Reduced:	SO4N6C22H24 (1)
Stoich.:	AB4C6D22E24 (1)
Weight, g/mol:	470.289306
ΔH_f, kcal/mol:	-51.29
Dipole, Da:	7.73
IP(EA), eV:	-9.1(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]-1-ethyl-7-propan-2-yl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC(=CC=C2)OC)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N=C4CCCN4C

DOS

IR

Vibrations