Geometry & MOs

Info

ID:

427806

PubChem CID:

135163207

Reduced:

SN3H31C54 (1)

Stoich.:

AB3C31D54 (1)

Weight, g/mol:

642.337712

ΔHf, kcal/mol:

273.51

Dipole, Da:

5.7

IP(EA), eV:

 -8.02(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ditert-butyl (2S)-2-[[(2S)-5-[2,2-bis(pyridin-2-ylmethyl)hydrazinyl]-1-methoxy-1,5-dioxopentan-2-yl]carbamoylamino]pentanedioate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=NC(=NC4=CC=CC=C43)N5C6=CC=CC=C6C7=C5C8=CC=CC=C8C9=C7C1=CC=CC=C1C(=C9)C1=CC2=C(C=C1)SC1=CC=CC=C12

DOS

IR

Vibrations