Geometry & MOs

Info

ID:

190195

PubChem CID:

77966517

Reduced:

ClS2O4N5H24C25 (1)

Stoich.:

AB2C4D5E24F25 (1)

Weight, g/mol:

842.425465

ΔHf, kcal/mol:

-51.05

Dipole, Da:

8.56

IP(EA), eV:

 -8.84(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[19-[[4-[(dibenzylamino)methyl]benzoyl]amino]-13-hydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

Drug info:

PubChemData

Smile

CC1CN(CC(C2=CC=CC(=O)N2C1)C)C(=O)C3=C(C=C(C=C3)Cl)NS(=O)(=O)C4=CC=CC5=NSN=C54

DOS

IR

Vibrations