Geometry & MOs

Info

ID:

423253

PubChem CID:

135119174

Reduced:

O2N5C23H25 (1)

Stoich.:

A2B5C23D25 (1)

Weight, g/mol:

686.379183

ΔHf, kcal/mol:

30.15

Dipole, Da:

4.49

IP(EA), eV:

 -7.98(-0.86)

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]-1-methylindole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2OC)OC)N3CCCC(C3)C4=NN=C5N4C=CC=C5

DOS

IR

Vibrations