Geometry & MOs

Info

ID:	193039
PubChem CID:	78337575
Reduced:	FSN3O3C22H26 (1)
Stoich.:	ABC3D3E22F26 (1)
Weight, g/mol:	419.131506
ΔH_f, kcal/mol:	-149.28
Dipole, Da:	8.17
IP(EA), eV:	-9.45(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC3C(C2)C(=O)NC(N3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations