Geometry & MOs

Info

ID:

445375

PubChem CID:

135266567

Reduced:

FO3S3N8C47H53 (1)

Stoich.:

AB3C3D8E47F53 (1)

Weight, g/mol:

959.251337

ΔHf, kcal/mol:

-14.83

Dipole, Da:

13.99

IP(EA), eV:

 -7.96(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[4-[11-(4-chlorophenyl)-4-hydroxy-6,12-dimethyl-15-oxo-13-(trifluoromethyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),7,10,13-tetraen-7-yl]piperazin-1-yl]phenyl]-3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1C)C2=CC=C(C=C2)F)C3=CC(=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC(=C(C=C6)N[C@H](CCN(C)C)CSC7=CC=CC=C7)N)C(=O)NS

DOS

IR

Vibrations