Geometry & MOs

Info

ID:	208835
PubChem CID:	80591848
Reduced:	BrClON2H8C11 (1)
Stoich.:	ABCD2E8F11 (1)
Weight, g/mol:	320.060647
ΔH_f, kcal/mol:	28.79
Dipole, Da:	4.11
IP(EA), eV:	-9.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-carbamothioyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1(C#N)C(=O)NC2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations