Geometry & MOs

Info

ID:

215288

PubChem CID:

85084488

Reduced:

N7O10C40H57 (1)

Stoich.:

A7B10C40D57 (1)

Weight, g/mol:

795.475543

ΔHf, kcal/mol:

-465.14

Dipole, Da:

7.28

IP(EA), eV:

 -9.66(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[6-amino-2-[[2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C(C)C)C(=O)NCC(=O)N)NC(=O)C(CC(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations