Geometry & MOs

Info

ID:	149479
PubChem CID:	53789152
Reduced:	NSO5C15H15 (1)
Stoich.:	ABC5D15E15 (1)
Weight, g/mol:	376.159414
ΔH_f, kcal/mol:	-98.22
Dipole, Da:	7.33
IP(EA), eV:	-9.79(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[carboxymethyl-[1,2-diamino-2-[bis(carboxymethyl)amino]cyclohexyl]amino]acetic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)S(=O)(=O)C)C(=O)C2=C(ON=C2)C3CC3

DOS

IR

Vibrations