Geometry & MOs

Info

ID:

304359

PubChem CID:

124558655

Reduced:

BrN3O4H26C34 (1)

Stoich.:

AB3C4D26E34 (1)

Weight, g/mol:

619.11067

ΔHf, kcal/mol:

-1.42

Dipole, Da:

4.14

IP(EA), eV:

 -8.87(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(Z)-[(15R,19S)-17-(4-bromophenyl)-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-methoxyphenyl)acetamide

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