Geometry & MOs

Info

ID:

320149

PubChem CID:

126658484

Reduced:

N6O6C29H36 (1)

Stoich.:

A6B6C29D36 (1)

Weight, g/mol:

454.253983

ΔHf, kcal/mol:

-178.36

Dipole, Da:

7.4

IP(EA), eV:

 -9.06(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(diaminomethylideneamino)-2-[[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C1=NC(=C(O1)C2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations