Geometry & MOs

Info

ID:	228163
PubChem CID:	87563556
Reduced:	FSN3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	392.97828
ΔH_f, kcal/mol:	-2.16
Dipole, Da:	5.04
IP(EA), eV:	-8.35(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromobenzoyl)carbamoyl-sulfanylamino]benzamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)C3=C(N2CCC(=S)N)C=CC(=C3)F

DOS

IR

Vibrations