Geometry & MOs

Info

ID:

419472

PubChem CID:

135108254

Reduced:

N2O4C19H20 (1)

Stoich.:

A2B4C19D20 (1)

Weight, g/mol:

496.189275

ΔHf, kcal/mol:

-76.8

Dipole, Da:

2.49

IP(EA), eV:

 -9.3(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,8S)-6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-9,18-dioxa-3,6,12,13,14-pentazatetracyclo[17.3.1.111,14.04,8]tetracosa-1(23),11(24),12,19,21-pentaen-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(O2)C(=O)N3C[C@H]([C@H](C3)O)CC4=CC(=NO4)C

DOS

IR

Vibrations