Geometry & MOs

Info

ID:

417681

PubChem CID:

135102488

Reduced:

O2N3C21H27 (1)

Stoich.:

A2B3C21D27 (1)

Weight, g/mol:

621.27671

ΔHf, kcal/mol:

-41.18

Dipole, Da:

4.15

IP(EA), eV:

 -8.51(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-21-methyl-11-(4-methylpiperidin-1-yl)sulfonyl-17-(2-methylsulfanylethyl)-2-oxa-6,7,8,11,15,18-hexazatricyclo[18.3.1.16,9]pentacosa-1(24),7,9(25),20,22-pentaene-16,19-dione

Drug info:

PubChemData

Smile

CCCN1[C@@H]2CC[C@H](C1=O)CN(C2)CC3=NC4=C(C=CC=C4OC)C=C3

DOS

IR

Vibrations