Geometry & MOs

Info

ID:

418279

PubChem CID:

135104047

Reduced:

SO2N5C18H23 (1)

Stoich.:

AB2C5D18E23 (1)

Weight, g/mol:

742.326102

ΔHf, kcal/mol:

-5.36

Dipole, Da:

5.83

IP(EA), eV:

 -8.77(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6S,9R,12R,15S)-6-benzyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclooctadec-15-yl]-1-methyl-3-phenylthieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CSC(=N3)C4=NC=CC=N4)CO

DOS

IR

Vibrations