Geometry & MOs

Info

ID:	208839
PubChem CID:	80592409
Reduced:	BrOSN2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	266.088912
ΔH_f, kcal/mol:	-17.98
Dipole, Da:	4.15
IP(EA), eV:	-9.15(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-carbamothioyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C2(CCC2)C(=S)N)C)Br

DOS

IR

Vibrations