Geometry & MOs

Info

ID:

230828

PubChem CID:

87572091

Reduced:

N4O7C27H28 (1)

Stoich.:

A4B7C27D28 (1)

Weight, g/mol:

973.07416

ΔHf, kcal/mol:

-61.43

Dipole, Da:

13.94

IP(EA), eV:

 -9.92(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-pyridin-2-yl-1,3-thiazole;2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC(C)(C)N(CC1(CC1)COC2=CC(=C(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations