Geometry & MOs

Info

ID:	168395
PubChem CID:	74961748
Reduced:	O4C10H13 (2)
Stoich.:	A4B10C13 (2)
Weight, g/mol:	411.14401
ΔH_f, kcal/mol:	-325.84
Dipole, Da:	2.37
IP(EA), eV:	-9.69(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]ethyl butanoate;dihydrochloride

Drug info:

PubChemData

Smile

CC(=O)OCC(C1C(C(C(O1)CC(=O)C2=CC=CC=C2)OC)OC(=O)C)OC

DOS

IR

Vibrations