Geometry & MOs

Info

ID:

417492

PubChem CID:

135095553

Reduced:

O5N9C30H35 (1)

Stoich.:

A5B9C30D35 (1)

Weight, g/mol:

617.35772

ΔHf, kcal/mol:

-44.68

Dipole, Da:

3.96

IP(EA), eV:

 -8.65(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-(cyclobutanecarbonyl)-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

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)C(=O)C4=CC=C(C=C4)CN5C=NN=N5

DOS

IR

Vibrations