Geometry & MOs

Info

ID:	193036
PubChem CID:	78337572
Reduced:	SN4O7C18H26 (1)
Stoich.:	AB4C7D18E26 (1)
Weight, g/mol:	403.136591
ΔH_f, kcal/mol:	-194.32
Dipole, Da:	9.45
IP(EA), eV:	-9.42(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(C1NC2CCN(CC2C(=O)N1)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC

DOS

IR

Vibrations