Geometry & MOs

Info

ID:

422308

PubChem CID:

135117613

Reduced:

O2N3H17C20 (1)

Stoich.:

A2B3C17D20 (1)

Weight, g/mol:

686.354031

ΔHf, kcal/mol:

86.85

Dipole, Da:

3.97

IP(EA), eV:

 -9.14(-0.81)

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]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C1C(=O)NCC2=CC(=NO2)C3=CC=CC=N3)C4=CC=CC=C4

DOS

IR

Vibrations