Geometry & MOs

Info

ID:	61082
PubChem CID:	26705408
Reduced:	S2F3N3O5C18H22 (1)
Stoich.:	A2B3C3D5E18F22 (1)
Weight, g/mol:	424.9755
ΔH_f, kcal/mol:	-342.52
Dipole, Da:	4.74
IP(EA), eV:	-9.15(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[4-(4-bromophenyl)sulfanylphenyl]-1,1-dioxothiolane-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC(F)(F)F)NC(=O)CN3CCSC3=O

DOS

IR

Vibrations