Geometry & MOs

Info

ID:	404481
PubChem CID:	135066447
Reduced:	SiBr4O6N8H102C104 (1)
Stoich.:	AB4C6D8E102F104 (1)
Weight, g/mol:	404.086449
ΔH_f, kcal/mol:	-27.13
Dipole, Da:	5.9
IP(EA), eV:	-7.11(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-1,4-bis[(2-methylphenyl)sulfonyl]pyrazole

Drug info:

Smile

CC(C)(C)C1=CC(=CC(=C1)OC2=CC3=CC4=C(C=C3C=C2Br)C5=NC6=[N+]7C(=NC8=C9C=C1C=C(C(=CC1=CC9=C1N8[Si-2]72(N5C4=NC3=[N+]2C(=N1)C1=C3C=C2C=C(C(=CC2=C1)OC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)Br)(O)O)Br)OC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C1=C6C=C2C=C(C(=CC2=C1)Br)OC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations