Geometry & MOs

Info

ID:

315128

PubChem CID:

126624561

Reduced:

O8N11C30H39 (1)

Stoich.:

A8B11C30D39 (1)

Weight, g/mol:

903.507906

ΔHf, kcal/mol:

-311.09

Dipole, Da:

12.64

IP(EA), eV:

 -8.38(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[2-[[(2S)-5-amino-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]hexanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)CNC(=O)CNC(=O)[C@H](CC3=CN=CN3)NC(=O)CNC(=O)CNC(=O)C

DOS

IR

Vibrations