Geometry & MOs

Info

ID:

215565

PubChem CID:

85084913

Reduced:

N14O14C45H76 (1)

Stoich.:

A14B14C45D76 (1)

Weight, g/mol:

1036.6757

ΔHf, kcal/mol:

-663.56

Dipole, Da:

6.73

IP(EA), eV:

 -9.09(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[(4-aminopiperidine-4-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(C)N

DOS

IR

Vibrations