Geometry & MOs

Info

ID:

418678

PubChem CID:

135106540

Reduced:

SN2O3C20H22 (1)

Stoich.:

AB2C3D20E22 (1)

Weight, g/mol:

658.347883

ΔHf, kcal/mol:

-82.73

Dipole, Da:

1.97

IP(EA), eV:

 -9.16(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-13-(quinoline-4-carbonyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3)C4=C1SC=C4

DOS

IR

Vibrations