Geometry & MOs

Info

ID:

145226

PubChem CID:

53482558

Reduced:

SN4O6C28H36 (1)

Stoich.:

AB4C6D28E36 (1)

Weight, g/mol:

707.302907

ΔHf, kcal/mol:

-162.41

Dipole, Da:

9.9

IP(EA), eV:

 -8.32(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-(1-adamantyl)-4-methoxyphenyl]-N-[4-(cyclohexylmethylamino)-3-nitrophenyl]sulfonylnaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]12CC[C@H](C1(C)C)CN(C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC5CCOCC5)[N+](=O)[O-]

DOS

IR

Vibrations