Geometry & MOs

Info

ID:

423383

PubChem CID:

135119402

Reduced:

O2N3C19H23 (1)

Stoich.:

A2B3C19D23 (1)

Weight, g/mol:

502.236225

ΔHf, kcal/mol:

-22.35

Dipole, Da:

2.82

IP(EA), eV:

 -9.32(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-11-acetyl-21-methyl-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

C1CC1NCC(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations