Geometry & MOs

Info

ID:

188672

PubChem CID:

77752557

Reduced:

SN6O10C34H38 (1)

Stoich.:

AB6C10D34E38 (1)

Weight, g/mol:

548.211171

ΔHf, kcal/mol:

-337.35

Dipole, Da:

15.35

IP(EA), eV:

 -8.85(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-chloro-11,15-dihydroxy-12,12,16-trimethyl-7-(2-methyl-1,3-benzothiazol-5-yl)-14-prop-2-enyl-1-oxa-8-azacyclohexadec-4-ene-9,13-dione

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C.CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O

DOS

IR

Vibrations