Geometry & MOs

Info

ID:	214571
PubChem CID:	85083212
Reduced:	INO8C21H30 (1)
Stoich.:	ABC8D21E30 (1)
Weight, g/mol:	551.11285
ΔH_f, kcal/mol:	-348.14
Dipole, Da:	2.98
IP(EA), eV:	-8.91(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[3-(diaminomethylideneamino)propoxymethyl]-3-iodo-5-methoxy-4-phenylmethoxyoxan-2-yl]oxyacetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1I)OC(=O)OC(C)(C)C)OC)C(=O)OC

DOS

IR

Vibrations