Geometry & MOs

Info

ID:	394869
PubChem CID:	135024010
Reduced:	FSH11C13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	280.053404
ΔH_f, kcal/mol:	-6.77
Dipole, Da:	2.55
IP(EA), eV:	-8.7(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1,2-bis(3-chlorophenyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)SC2=CC=CC=C2)F

DOS

IR

Vibrations