Geometry & MOs

Info

ID:

223932

PubChem CID:

85335794

Reduced:

O10N13C29H53 (1)

Stoich.:

A10B13C29D53 (1)

Weight, g/mol:

746.363927

ΔHf, kcal/mol:

-457.13

Dipole, Da:

6.36

IP(EA), eV:

 -9.29(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)CN)O

DOS

IR

Vibrations