Geometry & MOs

Info

ID:

422001

PubChem CID:

135116991

Reduced:

N7O7C37H47 (1)

Stoich.:

A7B7C37D47 (1)

Weight, g/mol:

707.400647

ΔHf, kcal/mol:

-194.38

Dipole, Da:

9.52

IP(EA), eV:

 -8.74(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4R,7R,13S,19R,23S)-13-benzyl-17-(2-ethyl-5-propan-2-ylpyrazole-3-carbonyl)-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

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](COC2=CC=C(C[C@@H](C(=O)N1)NC(=O)C3=NC(=NC(=C3)C)C)C=C2)CC4=CC=CC=C4)C(C)C)[C@@H](C)O

DOS

IR

Vibrations