Geometry & MOs

Info

ID:	205510
PubChem CID:	80114684
Reduced:	BrNSF2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	289.094806
ΔH_f, kcal/mol:	-39.49
Dipole, Da:	3.81
IP(EA), eV:	-9.13(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-difluoro-4-methylphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CNC(CC1=C(C(=CC=C1)F)F)C2=C(C=CS2)Br

DOS

IR

Vibrations