Geometry & MOs

Info

ID:

223888

PubChem CID:

85335706

Reduced:

FN4O10C30H51 (1)

Stoich.:

AB4C10D30E51 (1)

Weight, g/mol:

646.297111

ΔHf, kcal/mol:

-457.85

Dipole, Da:

5.37

IP(EA), eV:

 -8.73(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4,4-dimethylcyclohexyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC(C(C(O1)OC2C(C(=O)C(C(=O)OC(C(C(C(C(=O)C(CC2(C)OC)C)C)O)(C)O)CCN=[N+]=[N-])(C)F)C)O)N(C)C

DOS

IR

Vibrations