Geometry & MOs

Info

ID:	228480
PubChem CID:	87564755
Reduced:	F3O3C5H7 (1)
Stoich.:	A3B3C5D7 (1)
Weight, g/mol:	371.130363
ΔH_f, kcal/mol:	-274.51
Dipole, Da:	3.01
IP(EA), eV:	-10.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-N-[(4-carbamoylphenyl)-sulfanylcarbamoyl]benzamide

Drug info:

PubChemData

Smile

COCC(C=O)(C(F)(F)F)O

DOS

IR

Vibrations