Geometry & MOs

Info

ID:

418418

PubChem CID:

135104646

Reduced:

ON4C18H30 (1)

Stoich.:

AB4C18D30 (1)

Weight, g/mol:

659.331899

ΔHf, kcal/mol:

-37.35

Dipole, Da:

3.23

IP(EA), eV:

 -8.95(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

CC1=NC=C(C(=N1)N2CC[C@]3(CCCN([C@@H]3C2)C)CO)C(C)C

DOS

IR

Vibrations