Geometry & MOs

Info

ID:

420869

PubChem CID:

135114946

Reduced:

N3O3C17H25 (1)

Stoich.:

A3B3C17D25 (1)

Weight, g/mol:

646.222798

ΔHf, kcal/mol:

-118.53

Dipole, Da:

3.2

IP(EA), eV:

 -9.12(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-5-(5-chloro-2-methoxybenzoyl)-22-methoxy-13-(2-methylsulfanylacetyl)-2-oxa-5,8,13,17-tetrazatricyclo[17.3.1.13,6]tetracosa-1(22),19(23),20-triene-7,18-dione

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CN(C(=O)C=C3)C)CO

DOS

IR

Vibrations