Geometry & MOs

Info

ID:	27841
PubChem CID:	823839
Reduced:	ClOSN2F3C13H14 (1)
Stoich.:	ABCD2E3F13G14 (1)
Weight, g/mol:	254.088912
ΔH_f, kcal/mol:	-200.81
Dipole, Da:	5.71
IP(EA), eV:	-9.08(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)carbamothioyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(=S)NC1=C(C=CC(=C1)C(F)(F)F)Cl

DOS

IR

Vibrations