Geometry & MOs

Info

ID:

414431

PubChem CID:

135087389

Reduced:

SO5N6C34H42 (1)

Stoich.:

AB5C6D34E42 (1)

Weight, g/mol:

343.150761

ΔHf, kcal/mol:

-63.81

Dipole, Da:

7.09

IP(EA), eV:

 -9.16(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)CCC3=NC4=CC=CC=C4S3)CC5=CC=CC=C5)C(C)C

DOS

IR

Vibrations