Geometry & MOs

Info

ID:

433109

PubChem CID:

135173246

Reduced:

N5C17H17 (1)

Stoich.:

A5B17C17 (1)

Weight, g/mol:

774.431613

ΔHf, kcal/mol:

128.22

Dipole, Da:

4.85

IP(EA), eV:

 -8.41(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[[(9S)-6-benzyl-9-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacycloheptadec-3-yl]methyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N=C/C(=C\N)/N2C3=CC=CC=C3N=N2

DOS

IR

Vibrations