Geometry & MOs

Info

ID:

401927

PubChem CID:

135053396

Reduced:

N3O9H23C28 (1)

Stoich.:

A3B9C23D28 (1)

Weight, g/mol:

365.108565

ΔHf, kcal/mol:

-106.95

Dipole, Da:

9.39

IP(EA), eV:

 -9.58(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[(4R,6R)-4-oxo-4-phenyl-4lambda6-thia-3-azatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,8,10,12-hexaen-6-yl]acetate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N([C@H](O[C@H]1C2=CC=C(C=C2)[N+](=O)[O-])/C=C/C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations