Geometry & MOs

Info

ID:

218655

PubChem CID:

85089762

Reduced:

SN7O8C17H29 (1)

Stoich.:

AB7C8D17E29 (1)

Weight, g/mol:

491.134695

ΔHf, kcal/mol:

-357.52

Dipole, Da:

2.94

IP(EA), eV:

 -9.55(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(16,20-dihydroxy-12,19-dimethyl-4,8,14-trioxo-7,11,23-trioxahexacyclo[17.3.1.02,18.03,15.05,13.06,10]tricosa-2,5(13),15,17-tetraen-21-yl)-dimethylazanium;chloride

Drug info:

PubChemData

Smile

CC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CS)C(=O)O

DOS

IR

Vibrations