Geometry & MOs

Info

ID:

418851

PubChem CID:

135106956

Reduced:

O6N7C35H49 (1)

Stoich.:

A6B7C35D49 (1)

Weight, g/mol:

370.136257

ΔHf, kcal/mol:

-234.11

Dipole, Da:

4.43

IP(EA), eV:

 -8.74(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=CC=C(C=C2)CN(C)C)C)CC3=CC=CC=C3

DOS

IR

Vibrations