Geometry & MOs

Info

ID:	267332
PubChem CID:	103581857
Reduced:	BrClSN2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	312.96806
ΔH_f, kcal/mol:	60.05
Dipole, Da:	2.89
IP(EA), eV:	-9.6(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromo-3-chlorophenyl)methylamino]-2,2-difluoropropan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNCC2=CN=CS2)Cl)Br

DOS

IR

Vibrations