Geometry & MOs

Info

ID:	144416
PubChem CID:	53364833
Reduced:	BrFSN2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	317.099811
ΔH_f, kcal/mol:	6.41
Dipole, Da:	6.17
IP(EA), eV:	-8.65(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2-fluoro-4-methylphenyl)carbamothioylamino]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=S)NC2=CC=CC=C2Br

DOS

IR

Vibrations