Geometry & MOs

Info

ID:

421730

PubChem CID:

135116510

Reduced:

S2N3O5C16H25 (1)

Stoich.:

A2B3C5D16E25 (1)

Weight, g/mol:

685.315872

ΔHf, kcal/mol:

-181.48

Dipole, Da:

2.73

IP(EA), eV:

 -8.93(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,13S,19S)-4-benzyl-7-methyl-19-(2-methylpropyl)-13-propan-2-yl-15-(pyridine-4-carbonyl)-21-thia-3,6,8,9,12,15,18,23-octazatricyclo[18.2.1.05,9]tricosa-1(22),5,7,20(23)-tetraene-2,11,17-trione

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)CO

DOS

IR

Vibrations