Geometry & MOs

Info

ID:

416158

PubChem CID:

135089166

Reduced:

O2N3C22H23 (1)

Stoich.:

A2B3C22D23 (1)

Weight, g/mol:

729.421383

ΔHf, kcal/mol:

5.99

Dipole, Da:

4.41

IP(EA), eV:

 -9.28(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4R,7R,13S,19R,23S)-13-benzyl-17-[(1-butylbenzimidazol-2-yl)methyl]-23-hydroxy-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

C1CC1N2C=CC=C2C(=O)N[C@H]3COC[C@H]3CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations