Geometry & MOs

Info

ID:	167568
PubChem CID:	74845748
Reduced:	SN3O3C22H35 (1)
Stoich.:	AB3C3D22E35 (1)
Weight, g/mol:	337.146013
ΔH_f, kcal/mol:	-147.89
Dipole, Da:	6.55
IP(EA), eV:	-9.47(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations