Geometry & MOs

Info

ID:

222817

PubChem CID:

85332618

Reduced:

O6N7C25H49 (1)

Stoich.:

A6B7C25D49 (1)

Weight, g/mol:

544.297094

ΔHf, kcal/mol:

-330.37

Dipole, Da:

10.33

IP(EA), eV:

 -9.36(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-but-2-enyl-5,17-dihydroxy-12,16-dimethyl-9-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-15-oxa-8-azaspiro[3.15]nonadec-11-ene-7,19-dione

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)N

DOS

IR

Vibrations