Geometry & MOs

Info

ID:

420256

PubChem CID:

135112102

Reduced:

N3O3C19H24 (2)

Stoich.:

A3B3C19D24 (2)

Weight, g/mol:

337.157246

ΔHf, kcal/mol:

-234.47

Dipole, Da:

2.02

IP(EA), eV:

 -8.89(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)CCCNC(=O)[C@@H](NC(=O)C1)CC3=CC=C(C=C3)O)NC(=O)C4=CC5=CC=CC=C5N=C4)C(C)C

DOS

IR

Vibrations