Geometry & MOs

Info

ID:

419040

PubChem CID:

135107376

Reduced:

SN2O5C16H24 (1)

Stoich.:

AB2C5D16E24 (1)

Weight, g/mol:

636.327148

ΔHf, kcal/mol:

-199.76

Dipole, Da:

5.22

IP(EA), eV:

 -9.52(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4R,7R,13S,19R,23S)-13-benzyl-23-hydroxy-4-(2-methylpropyl)-17-(1H-pyrrole-2-carbonyl)-20-oxa-2,5,11,14,17-pentazatricyclo[17.3.1.07,11]tricosane-3,6,12,15-tetrone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CC2=CC=C(C=C2)CO

DOS

IR

Vibrations