Geometry & MOs

Info

ID:

422088

PubChem CID:

135117172

Reduced:

ON5C17H19 (1)

Stoich.:

AB5C17D19 (1)

Weight, g/mol:

744.330519

ΔHf, kcal/mol:

78.25

Dipole, Da:

2.99

IP(EA), eV:

 -8.98(-0.08)

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-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-20-oxa-2,5,11,14,17-pentazatricyclo[17.3.1.07,11]tricosane-3,6,12,15-tetrone

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)CN2CCC3=C(C2C4=CC=CC=N4)N=CN3

DOS

IR

Vibrations