Geometry & MOs

Info

ID:	418796
PubChem CID:	135106821
Reduced:	SO3N4C12H20 (1)
Stoich.:	AB3C4D12E20 (1)
Weight, g/mol:	366.161329
ΔH_f, kcal/mol:	-94.81
Dipole, Da:	3.63
IP(EA), eV:	-9.39(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations