Geometry & MOs

Info

ID:

56984

PubChem CID:

22395183

Reduced:

N13O13C45H71 (1)

Stoich.:

A13B13C45D71 (1)

Weight, g/mol:

1034.554916

ΔHf, kcal/mol:

-609.05

Dipole, Da:

10.9

IP(EA), eV:

 -8.29(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[1-[[1-[[1-[[1-[[1-[[1-[(1-carboxy-2-hydroxypropyl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations