Geometry & MOs

Info

ID:	167573
PubChem CID:	74846127
Reduced:	ClN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	449.177313
ΔH_f, kcal/mol:	-94.72
Dipole, Da:	7.11
IP(EA), eV:	-9.21(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2NC3CCN(CC3C(=O)N2)C(=O)COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations