Geometry & MOs

Info

ID:	323310
PubChem CID:	126674095
Reduced:	ClF2O2N3C22H24 (1)
Stoich.:	AB2C2D3E22F24 (1)
Weight, g/mol:	635.943078
ΔH_f, kcal/mol:	-149.12
Dipole, Da:	7.89
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,5-bis(2,3-disulfooxypropoxy)benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2C=C(C3=C2C=CC=C3F)C(=O)NC4CCNC[C@@H]4F.Cl

DOS

IR

Vibrations