Geometry & MOs

Info

ID:

421262

PubChem CID:

135115662

Reduced:

NO4C18H27 (1)

Stoich.:

AB4C18D27 (1)

Weight, g/mol:

624.327148

ΔHf, kcal/mol:

-176.19

Dipole, Da:

4.31

IP(EA), eV:

 -8.52(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)CC2=C(C=C(C=C2)C)OC)C(=O)O

DOS

IR

Vibrations