Geometry & MOs

Info

ID:

188824

PubChem CID:

77771284

Reduced:

N4O4C31H32 (1)

Stoich.:

A4B4C31D32 (1)

Weight, g/mol:

598.197646

ΔHf, kcal/mol:

-70.81

Dipole, Da:

3.61

IP(EA), eV:

 -9.56(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-hydroxy-2-[[4-[(1-methanehydrazonoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]amino]propanoate;hydrochloride

Drug info:

PubChemData

Smile

C1COCCN1C(=O)NC(CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C(=O)NC(CCC4=CC=CC=C4)C#N

DOS

IR

Vibrations