Geometry & MOs

Info

ID:

449608

PubChem CID:

135300028

Reduced:

O2N3H17C20 (1)

Stoich.:

A2B3C17D20 (1)

Weight, g/mol:

446.09681

ΔHf, kcal/mol:

25.11

Dipole, Da:

3.76

IP(EA), eV:

 -9.07(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S)-7-(4-chlorophenyl)-5,9,13-trimethyl-4-[2-(3-methylimidazol-4-yl)ethynyl]-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaene

Drug info:

PubChemData

Smile

C=C(C(=O)O)NC1=NC=C(N=C1CC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations