Geometry & MOs

Info

ID:	185948
PubChem CID:	77373297
Reduced:	N3O4C17H20 (2)
Stoich.:	A3B4C17D20 (2)
Weight, g/mol:	352.120526
ΔH_f, kcal/mol:	-215.07
Dipole, Da:	6.31
IP(EA), eV:	-9.3(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[4-[2-carboxy-2-(methylamino)ethyl]imidazol-1-yl]-4-thiophen-3-ylbutanoic acid

Drug info:

PubChemData

Smile

C1C(C(C(O1)CO)CO)N2C=CC(=NC2=O)N(C3=NC(=O)N(C=C3)C4COC(C4COCC5=CC=CC=C5)COCC6=CC=CC=C6)N

DOS

IR

Vibrations