Geometry & MOs

Info

ID:

423250

PubChem CID:

135119171

Reduced:

O3N6C16H26 (1)

Stoich.:

A3B6C16D26 (1)

Weight, g/mol:

690.367573

ΔHf, kcal/mol:

-111.08

Dipole, Da:

5.25

IP(EA), eV:

 -8.79(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,13S,19S)-4-benzyl-7-methyl-15-(1-methylcyclopentanecarbonyl)-19-(2-methylpropyl)-13-propan-2-yl-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)C3=NC(=NC(=C3)NCCO)N)C(=O)O

DOS

IR

Vibrations