Geometry & MOs

Info

ID:	418335
PubChem CID:	135104219
Reduced:	SN3O4C14H19 (1)
Stoich.:	AB3C4D14E19 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-106.09
Dipole, Da:	4.85
IP(EA), eV:	-8.7(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-[3-(2,4-dimethylphenyl)propanoyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations