Geometry & MOs

Info

ID:

416435

PubChem CID:

135089448

Reduced:

O2N4C21H24 (1)

Stoich.:

A2B4C21D24 (1)

Weight, g/mol:

655.340355

ΔHf, kcal/mol:

-21.27

Dipole, Da:

5.33

IP(EA), eV:

 -8.77(-0.78)

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-(4-thiophen-2-ylbutanoyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=CN=C(N=C3)NC4=CC=CC=C4)OCC1

DOS

IR

Vibrations