Geometry & MOs

Info

ID:	42962
PubChem CID:	10317432
Reduced:	ClN2O2H17C22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	377.039273
ΔH_f, kcal/mol:	-4.67
Dipole, Da:	1.4
IP(EA), eV:	-8.66(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid;manganese(2+)

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN2/C(=C/3\C=CC=CC3=O)/NC4=C(C2=O)C=C(C=C4)Cl

DOS

IR

Vibrations