Geometry & MOs

Info

ID:

84064

PubChem CID:

49863966

Reduced:

NO4C9H11 (1)

Stoich.:

AB4C9D11 (1)

Weight, g/mol:

605.355034

ΔHf, kcal/mol:

-149.26

Dipole, Da:

1.22

IP(EA), eV:

 -9.04(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(benzylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

CC(=O)C(C1=CC(=C(C(=C1)O)O)O)N

DOS

IR

Vibrations