Geometry & MOs

Info

ID:

416793

PubChem CID:

135090431

Reduced:

O7N8C35H48 (1)

Stoich.:

A7B8C35D48 (1)

Weight, g/mol:

643.348218

ΔHf, kcal/mol:

-284.57

Dipole, Da:

4.52

IP(EA), eV:

 -9.62(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-10-methyl-17-(1-methylimidazole-4-carbonyl)-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

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C3=C(N=CN=C3C)C)CC4=CC=CC=C4)[C@@H](C)O

DOS

IR

Vibrations