Geometry & MOs

Info

ID:

170537

PubChem CID:

75249006

Reduced:

SN3O12C33H37 (1)

Stoich.:

AB3C12D33E37 (1)

Weight, g/mol:

648.151942

ΔHf, kcal/mol:

-376.74

Dipole, Da:

7.43

IP(EA), eV:

 -9.32(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-6-(4-methylphenyl)sulfonyl-7-phenyl-3,4a,5,7,8,8a-hexahydro-2H-1,6-naphthyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC#C)CC2C(C(CC(C2OC(=O)NCC3=CC=CO3)OC(=O)NCC4=CC=CO4)C(=O)OC)C(=O)OC

DOS

IR

Vibrations