Geometry & MOs

Info

ID:	421729
PubChem CID:	135116509
Reduced:	OSN3C22H25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	403.123563
ΔH_f, kcal/mol:	33.91
Dipole, Da:	5.67
IP(EA), eV:	-8.88(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]sulfonyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@@H]2[C@](C1)(C3=CC=CC=C3)O)CC4=CC=C(S4)C5=CC=NN5

DOS

IR

Vibrations