Geometry & MOs

Info

ID:	167572
PubChem CID:	74845752
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	427.166269
ΔH_f, kcal/mol:	-89.38
Dipole, Da:	2.65
IP(EA), eV:	-8.7(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(4-chlorophenoxy)acetyl]-2-[(3-methylphenyl)methyl]-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2NC3CCN(CC3C(=O)N2)S(=O)(=O)CC4=CC=CC=C4

DOS

IR

Vibrations