Geometry & MOs

Info

ID:

223056

PubChem CID:

85334289

Reduced:

O12N14C49H80 (1)

Stoich.:

A12B14C49D80 (1)

Weight, g/mol:

1066.687602

ΔHf, kcal/mol:

-580.28

Dipole, Da:

6.57

IP(EA), eV:

 -8.56(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-N-[1-[[1-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]hexanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations