Geometry & MOs

Info

ID:

422791

PubChem CID:

135118415

Reduced:

N2O3C17H22 (1)

Stoich.:

A2B3C17D22 (1)

Weight, g/mol:

593.25173

ΔHf, kcal/mol:

-54.58

Dipole, Da:

6.29

IP(EA), eV:

 -9.46(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-17-benzyl-22-chloro-11-[(2S)-pyrrolidine-2-carbonyl]-2-oxa-6,7,8,11,15,18-hexazatricyclo[18.2.2.16,9]pentacosa-1(22),7,9(25),20,23-pentaene-16,19-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C(=O)N2C[C@@H]3COC[C@H](C2)N(C3=O)C

DOS

IR

Vibrations