Geometry & MOs

Info

ID:

168163

PubChem CID:

74931822

Reduced:

BrNOH16C20 (1)

Stoich.:

ABCD16E20 (1)

Weight, g/mol:

656.378515

ΔHf, kcal/mol:

58.31

Dipole, Da:

2.45

IP(EA), eV:

 -8.63(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[19-[(1-ethylpyrrolidin-2-yl)methylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

Drug info:

PubChemData

Smile

C1C2CC3=C(C4=CC=CC=C4C=C3)N(C1C5=CC(=CC=C5)Br)O2

DOS

IR

Vibrations