Geometry & MOs

Info

ID:

420804

PubChem CID:

135114860

Reduced:

O2N3C17H25 (1)

Stoich.:

A2B3C17D25 (1)

Weight, g/mol:

548.29987

ΔHf, kcal/mol:

-63.03

Dipole, Da:

5.89

IP(EA), eV:

 -9.01(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,17R,18S)-5-methoxy-12-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-7-oxa-12,15,22-triazatetracyclo[15.5.1.12,6.018,22]tetracosa-2(24),3,5-trien-14-one

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)CC3=CN=C(C=C3)OC

DOS

IR

Vibrations