Geometry & MOs

Info

ID:

415146

PubChem CID:

135088132

Reduced:

O3N5C24H33 (1)

Stoich.:

A3B5C24D33 (1)

Weight, g/mol:

699.374432

ΔHf, kcal/mol:

-34.27

Dipole, Da:

4.89

IP(EA), eV:

 -8.58(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(8S,12R,15S,18S,20R)-8-[(4-hydroxyphenyl)methyl]-12-methyl-2,7,10,17-tetraoxo-15-propan-2-yl-1,6,9,16-tetrazabicyclo[16.3.0]henicosan-20-yl]-3-phenyl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C2(C1)CCN(CC2)C(=O)C3=C(ON=C3N4CCOCC4)C5=CC=CC=C5)C

DOS

IR

Vibrations