Geometry & MOs

Info

ID:

414594

PubChem CID:

135087553

Reduced:

N6O6C33H52 (1)

Stoich.:

A6B6C33D52 (1)

Weight, g/mol:

688.338461

ΔHf, kcal/mol:

-300.18

Dipole, Da:

5.96

IP(EA), eV:

 -9.38(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,10R)-4-[(2S)-butan-2-yl]-17-(5-fluoropyridine-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

CCCC(=O)N1C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1)CC(C)C)C)C)C)C(C)C)CC2=CC=CC=C2

DOS

IR

Vibrations