Geometry & MOs

Info

ID:	167570
PubChem CID:	74845750
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	-128.36
Dipole, Da:	6.03
IP(EA), eV:	-9.49(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N1CCC2C(C1)C(=O)NC(N2)C3=CC=CC(=C3)C

DOS

IR

Vibrations