Geometry & MOs

Info

ID:

335468

PubChem CID:

127254330

Reduced:

ClNOC19H20 (2)

Stoich.:

ABCD19E20 (2)

Weight, g/mol:

594.111313

ΔHf, kcal/mol:

9.85

Dipole, Da:

5.17

IP(EA), eV:

 -9.31(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl (11S,12R,16S)-14-(3,5-dichlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CC#CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC#CCC(C4=CC=CC=C4)(C5=CC=CC=C5)O.Cl.Cl

DOS

IR

Vibrations