Geometry & MOs

Info

ID:	225471
PubChem CID:	85805309
Reduced:	ClNSO3F4C7H8 (1)
Stoich.:	ABCD3E4F7G8 (1)
Weight, g/mol:	428.173607
ΔH_f, kcal/mol:	-352.07
Dipole, Da:	3.51
IP(EA), eV:	-10.33(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[4-[(2,3-dihydroxyphenyl)methylamino]phenyl]anilino]methyl]benzene-1,2-diol

Drug info:

PubChemData

Smile

CC(=O)NC(CSC(C(F)(F)Cl)(F)F)C(=O)O

DOS

IR

Vibrations