Geometry & MOs

Info

ID:

419502

PubChem CID:

135108296

Reduced:

N3O3C22H23 (1)

Stoich.:

A3B3C22D23 (1)

Weight, g/mol:

615.353303

ΔHf, kcal/mol:

-91.06

Dipole, Da:

8.96

IP(EA), eV:

 -9.12(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-(1H-imidazol-5-ylmethyl)-10-methyl-7-(2-methylpropyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34)C

DOS

IR

Vibrations