Geometry & MOs

Info

ID:

304364

PubChem CID:

124558855

Reduced:

ClSO2N4H21C32 (1)

Stoich.:

ABC2D4E21F32 (1)

Weight, g/mol:

507.219829

ΔHf, kcal/mol:

82.12

Dipole, Da:

2.15

IP(EA), eV:

 -8.78(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,6R,7S)-10-[bis(4-methylphenyl)methylidene]-4-(2-phenylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3[C@@H]4[C@H](C2(C5=CC=CC=C35)/C=N\NC6=NC7=CC=CC=C7S6)C(=O)N(C4=O)C8=CC=CC=C8Cl

DOS

IR

Vibrations