Geometry & MOs

Info

ID:

418190

PubChem CID:

135103792

Reduced:

O2N4C17H19 (2)

Stoich.:

A2B4C17D19 (2)

Weight, g/mol:

687.338047

ΔHf, kcal/mol:

-38.76

Dipole, Da:

11.34

IP(EA), eV:

 -9.23(-1.32)

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-3-phenyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CCCN([C@H]2C[C@@H](C(=O)NC1)N(C2)C(=O)CN3N=C4C=CC=CC4=N3)C(=O)C5=CC=CC=C5)C(=O)CC6=CN=CC=C6

DOS

IR

Vibrations