Geometry & MOs

Info

ID:

45246

PubChem CID:

10510073

Reduced:

PSiN4O11C49H55 (1)

Stoich.:

ABC4D11E49F55 (1)

Weight, g/mol:

938.03784

ΔHf, kcal/mol:

-388.77

Dipole, Da:

6.13

IP(EA), eV:

 -8.89(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[5-(3-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(3-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CN(C(=O)N=C1NC(=O)OCC=C)[C@H]2C[C@@H]([C@H](O2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OP(OCCC#N)OC(C5=CC(=CC(=C5)OC)OC)C(=O)C6=CC=CC=C6

DOS

IR

Vibrations