Geometry & MOs

Info

ID:

315120

PubChem CID:

126624517

Reduced:

O8N11C37H45 (1)

Stoich.:

A8B11C37D45 (1)

Weight, g/mol:

926.487505

ΔHf, kcal/mol:

-271.11

Dipole, Da:

10.72

IP(EA), eV:

 -8.4(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-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]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)NCC(=O)N(C)CC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N

DOS

IR

Vibrations