Geometry & MOs

Info

ID:

416856

PubChem CID:

135090593

Reduced:

SN7O7C33H45 (1)

Stoich.:

AB7C7D33E45 (1)

Weight, g/mol:

351.215806

ΔHf, kcal/mol:

-273.26

Dipole, Da:

4.05

IP(EA), eV:

 -9.27(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4aS,8aS)-1-(2-ethoxyethyl)-4a-(hydroxymethyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)C(=O)[C@H]4CCCO4)C)C)C(C)C

DOS

IR

Vibrations