Geometry & MOs

Info

ID:	35841
PubChem CID:	7980392
Reduced:	BrFNO3H15C18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	373.080636
ΔH_f, kcal/mol:	-107.81
Dipole, Da:	5.0
IP(EA), eV:	-9.84(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)/C=C/C2=C(C=CC(=C2)Br)F

DOS

IR

Vibrations