Geometry & MOs

Info

ID:

421354

PubChem CID:

135115833

Reduced:

O2N3C20H27 (1)

Stoich.:

A2B3C20D27 (1)

Weight, g/mol:

700.358448

ΔHf, kcal/mol:

-17.16

Dipole, Da:

2.63

IP(EA), eV:

 -8.61(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,10R)-4-[(2S)-butan-2-yl]-7-[(4-methoxyphenyl)methyl]-10-methyl-17-(1-methyl-6-oxopyridine-3-carbonyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NO2)CN3CCC[C@@]4(C3)CCC[C@H]4OC

DOS

IR

Vibrations