Geometry & MOs

Info

ID:	27831
PubChem CID:	823778
Reduced:	OSN2F3C11H11 (1)
Stoich.:	ABC2D3E11F11 (1)
Weight, g/mol:	250.077599
ΔH_f, kcal/mol:	-179.73
Dipole, Da:	3.27
IP(EA), eV:	-8.98(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-acetylphenyl)carbamothioyl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)NC(=S)NC1=CC=CC=C1C(F)(F)F

DOS

IR

Vibrations