Geometry & MOs

Info

ID:

416880

PubChem CID:

135090656

Reduced:

NO2C10H13 (2)

Stoich.:

AB2C10D13 (2)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-122.84

Dipole, Da:

4.73

IP(EA), eV:

 -8.62(-0.48)

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-(4-chlorophenyl)cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(O1)C(=O)N)CN(C)CC2COC3=CC=CC=C3O2

DOS

IR

Vibrations