Geometry & MOs

Info

ID:

304361

PubChem CID:

124558683

Reduced:

N2O3H10C15 (2)

Stoich.:

A2B3C10D15 (2)

Weight, g/mol:

606.19032

ΔHf, kcal/mol:

-5.45

Dipole, Da:

8.05

IP(EA), eV:

 -9.74(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(Z)-[(15S,19R)-17-naphthalen-1-yl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(4-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3[C@@H]4[C@H](C2(C5=CC=CC=C35)/C=N\NC(=O)C6=CC=CO6)C(=O)N(C4=O)C7=CC=CC=C7[N+](=O)[O-]

DOS

IR

Vibrations