Geometry & MOs

Info

ID:	343433
PubChem CID:	127266606
Reduced:	O2F3N3C15H16 (1)
Stoich.:	A2B3C3D15E16 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-197.76
Dipole, Da:	4.19
IP(EA), eV:	-9.33(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]thietane-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(C(F)(F)F)O)C(=O)C1=CC=C(C=C1)C2=CN=CN2

DOS

IR

Vibrations