Geometry & MOs

Info

ID:

422517

PubChem CID:

135117970

Reduced:

ON4C23H30 (1)

Stoich.:

AB4C23D30 (1)

Weight, g/mol:

698.346169

ΔHf, kcal/mol:

-1.0

Dipole, Da:

2.7

IP(EA), eV:

 -8.95(-0.82)

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-pyrrolidin-1-ylsulfonyl-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCN(CC)CC(=O)N1CCCC2(C1)CCC3=CN=C(N=C23)C4=CC=CC=C4

DOS

IR

Vibrations