Geometry & MOs

Info

ID:

423558

PubChem CID:

135119737

Reduced:

O3N4C19H22 (1)

Stoich.:

A3B4C19D22 (1)

Weight, g/mol:

818.411546

ΔHf, kcal/mol:

13.37

Dipole, Da:

2.7

IP(EA), eV:

 -8.89(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(5R,8S,11S,14R,17S)-5-(1H-indol-3-ylmethyl)-11-[(4-methoxyphenyl)methyl]-14-methyl-8-(2-methylpropyl)-3,6,9,12,15-pentaoxo-17-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-1-carbonyl]benzonitrile

Drug info:

PubChemData

Smile

CN(CC1=CC2=NON=C2C=C1)CC(=O)NCCC3=CC=CC=C3OC

DOS

IR

Vibrations