Geometry & MOs

Info

ID:

417261

PubChem CID:

135091866

Reduced:

O3N5C21H25 (1)

Stoich.:

A3B5C21D25 (1)

Weight, g/mol:

789.41736

ΔHf, kcal/mol:

-74.84

Dipole, Da:

7.84

IP(EA), eV:

 -8.84(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(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-hexazacyclooctadec-1-yl]-2-oxoethyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N2CCCN(CC2)C(=O)C3CC(=O)NC4=CC=CC=C34

DOS

IR

Vibrations