Geometry & MOs

Info

ID:

231504

PubChem CID:

87573949

Reduced:

F2S2O4N7H21C26 (1)

Stoich.:

A2B2C4D7E21F26 (1)

Weight, g/mol:

597.106451

ΔHf, kcal/mol:

61.76

Dipole, Da:

8.47

IP(EA), eV:

 -9.14(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)propan-1-amine

Drug info:

PubChemData

Smile

CC1=NN=C(S1)N2C(SC(=N2)C3=C(C=CC(=C3)F)F)(C4=CC(=CC=C4)[N+](=O)[O-])C(CCN)C5=CC=CC=C5[N+](=O)[O-]

DOS

IR

Vibrations