Geometry & MOs

Info

ID:

419969

PubChem CID:

135110360

Reduced:

ON2C19H24 (1)

Stoich.:

AB2C19D24 (1)

Weight, g/mol:

669.31962

ΔHf, kcal/mol:

-12.37

Dipole, Da:

1.75

IP(EA), eV:

 -9.18(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-5-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-23-methoxy-13-(2-methylsulfanylacetyl)-2-oxa-5,8,13,17-tetrazatricyclo[19.2.2.13,6]hexacosa-1(23),21,24-triene-7,18-dione

Drug info:

PubChemData

Smile

C1CCC(C1)N[C@@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations