Geometry & MOs

Info

ID:	27830
PubChem CID:	823773
Reduced:	ClNO3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	276.054419
ΔH_f, kcal/mol:	-77.16
Dipole, Da:	4.23
IP(EA), eV:	-9.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(trifluoromethyl)phenyl]carbamothioyl]propanamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2[C@](C1=O)(CC(=O)C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations