Geometry & MOs

Info

ID:	26877
PubChem CID:	801053
Reduced:	O5H12C13 (1)
Stoich.:	A5B12C13 (1)
Weight, g/mol:	274.03429
ΔH_f, kcal/mol:	-176.38
Dipole, Da:	6.58
IP(EA), eV:	-9.17(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)C=O)C

DOS

IR

Vibrations