Geometry & MOs

Info

ID:	632
PubChem CID:	3112
Reduced:	NO4C10H12 (2)
Stoich.:	AB4C10D12 (2)
Weight, g/mol:	420.153266
ΔH_f, kcal/mol:	-320.83
Dipole, Da:	7.43
IP(EA), eV:	-9.94(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-2H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-2H-pyrrol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=NC(C(=C1CC(=O)O)CCC(=O)O)CC2=NCC(=C2CC(=O)O)CCC(=O)O

DOS

IR

Vibrations