Geometry & MOs

Info

ID:

381992

PubChem CID:

134972889

Reduced:

S2H14C25 (1)

Stoich.:

A2B14C25 (1)

Weight, g/mol:

645.311067

ΔHf, kcal/mol:

207.17

Dipole, Da:

1.22

IP(EA), eV:

 -8.53(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

tert-butyl N-[1-[[(2S)-3-(3-ethyl-1,3-thiazol-3-ium-4-yl)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2=CC3=C(S2)C=CC4=C3C=C(S4)C#CC5C=CC=C5

DOS

IR

Vibrations