Geometry & MOs

Info

ID:

304360

PubChem CID:

124558658

Reduced:

BrN3O4H26C34 (1)

Stoich.:

AB3C4D26E34 (1)

Weight, g/mol:

532.138284

ΔHf, kcal/mol:

-1.8

Dipole, Da:

1.08

IP(EA), eV:

 -8.87(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(Z)-[(15R,19R)-17-(2-nitrophenyl)-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]furan-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N/N=C\C23[C@H]4[C@H](C(C5=CC=CC=C52)C6=CC=CC=C36)C(=O)N(C4=O)C7=CC=C(C=C7)Br

DOS

IR

Vibrations