Geometry & MOs

Info

ID:

298639

PubChem CID:

117653259

Reduced:

SCl2N2O5C29H34 (1)

Stoich.:

AB2C2D5E29F34 (1)

Weight, g/mol:

710.369093

ΔHf, kcal/mol:

-161.99

Dipole, Da:

2.44

IP(EA), eV:

 -9.41(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4Z,6E,10E)-19-[2-(dimethylamino)ethylamino]-21-(4-fluorophenyl)-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

CC[C@@H](CN(C)S(=O)(=O)C1CC1)N2C(C(CC3(C2=O)CC3C(=O)OC)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations