Geometry & MOs

Info

ID:

419891

PubChem CID:

135109588

Reduced:

SO4N6C33H42 (1)

Stoich.:

AB4C6D33E42 (1)

Weight, g/mol:

629.321334

ΔHf, kcal/mol:

-140.22

Dipole, Da:

3.13

IP(EA), eV:

 -8.35(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-(furan-3-carbonyl)-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

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)C5=C(N=CC=C5)SC)C(C)C

DOS

IR

Vibrations