Geometry & MOs

Info

ID:

393560

PubChem CID:

135021037

Reduced:

NO2H19C27 (1)

Stoich.:

AB2C19D27 (1)

Weight, g/mol:

623.139607

ΔHf, kcal/mol:

107.15

Dipole, Da:

6.37

IP(EA), eV:

 -9.02(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R,6R)-5,5-dimethyl-13-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)sulfonyl-4,13-diazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),8(15),9,11-tetraene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2C3=CC=CC=C3C(=C2C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations