Geometry & MOs

Info

ID:

419331

PubChem CID:

135107987

Reduced:

OSN3C16H21 (1)

Stoich.:

ABC3D16E21 (1)

Weight, g/mol:

712.358448

ΔHf, kcal/mol:

5.9

Dipole, Da:

4.12

IP(EA), eV:

 -9.05(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(4R,7S,10R)-4-benzyl-10-methyl-7-(2-methylpropyl)-2,5,8,11-tetraoxo-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-17-carbonyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1(CC1(C2=CC=CS2)C(=O)NCCCC3=NC=CN3)C

DOS

IR

Vibrations