Geometry & MOs

Info

ID:

304358

PubChem CID:

124558654

Reduced:

N3O4H29C35 (1)

Stoich.:

A3B4C29D35 (1)

Weight, g/mol:

619.11067

ΔHf, kcal/mol:

-34.37

Dipole, Da:

4.43

IP(EA), eV:

 -8.87(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(Z)-[(15S,19R)-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

CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)/C=N\NC(=O)CC7=CC=C(C=C7)OC

DOS

IR

Vibrations