Geometry & MOs

Info

ID:	420216
PubChem CID:	135111886
Reduced:	SN2O5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	384.166077
ΔH_f, kcal/mol:	-178.54
Dipole, Da:	6.38
IP(EA), eV:	-9.73(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)O

DOS

IR

Vibrations