Geometry & MOs

Info

ID:	176574
PubChem CID:	76067627
Reduced:	SO4C21H34 (1)
Stoich.:	AB4C21D34 (1)
Weight, g/mol:	472.243418
ΔH_f, kcal/mol:	-197.35
Dipole, Da:	5.51
IP(EA), eV:	-9.08(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-benzamido-4-[(1-methanehydrazonoylpiperidin-3-yl)methylamino]-4-oxobutanoyl]-cyclopropylamino]acetic acid

Drug info:

PubChemData

Smile

CCC=CCCC=CC1CCC(=O)C1CCCCSC(C(=O)OCC)O

DOS

IR

Vibrations