Geometry & MOs

Info

ID:

341971

PubChem CID:

127264664

Reduced:

N2Cl3C7H11 (1)

Stoich.:

A2B3C7D11 (1)

Weight, g/mol:

943.539206

ΔHf, kcal/mol:

-55.56

Dipole, Da:

7.77

IP(EA), eV:

-9.95(-0.72)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S,8S,11S,14S,17S)-3,6,9,12,15,18-hexaamino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,17-bis(1H-imidazol-5-ylmethyl)-14-(1H-indol-3-ylmethyl)-11-methyl-4,7,10,13,16,19-hexaoxo-8-propan-2-ylicosanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CN=C1)Cl)N.Cl.Cl

DOS

IR

Vibrations