Geometry & MOs

Info

ID:

423574

PubChem CID:

135119761

Reduced:

O2N3C16H23 (1)

Stoich.:

A2B3C16D23 (1)

Weight, g/mol:

622.347883

ΔHf, kcal/mol:

-35.01

Dipole, Da:

3.32

IP(EA), eV:

 -9.2(-0.07)

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-(2-pyridin-3-ylacetyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC(C)CC1=NOC(=C1)CNC(=O)C2=CC=CN2C(C)C

DOS

IR

Vibrations