Geometry & MOs

Info

ID:

421309

PubChem CID:

135115764

Reduced:

SO5N8C34H44 (1)

Stoich.:

AB5C8D34E44 (1)

Weight, g/mol:

659.331899

ΔHf, kcal/mol:

-137.74

Dipole, Da:

5.04

IP(EA), eV:

 -9.16(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,10R)-4-[(2S)-butan-2-yl]-17-(furan-3-carbonyl)-7-[(4-methoxyphenyl)methyl]-10-methyl-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]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)CC4=CC=NC=C4)C)C)C(C)C

DOS

IR

Vibrations