Geometry & MOs

Info

ID:	197619
PubChem CID:	78983799
Reduced:	BrN2S2O4H11C12 (1)
Stoich.:	AB2C2D4E11F12 (1)
Weight, g/mol:	327.96812
ΔH_f, kcal/mol:	-30.83
Dipole, Da:	5.27
IP(EA), eV:	-9.49(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromothiophen-2-yl)methyl]-3-(2-fluorophenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1S(=O)(=O)NCC2=C(C=CS2)Br)[N+](=O)[O-]

DOS

IR

Vibrations