Geometry & MOs

Info

ID:

422419

PubChem CID:

135117805

Reduced:

SO2N3C22H23 (1)

Stoich.:

AB2C3D22E23 (1)

Weight, g/mol:

650.30958

ΔHf, kcal/mol:

4.77

Dipole, Da:

6.41

IP(EA), eV:

 -9.17(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-17-benzyl-22-chloro-11-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]-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

C1COC2(CCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4)C5=C1SC=C5

DOS

IR

Vibrations