Geometry & MOs

Info

ID:	157015
PubChem CID:	56412695
Reduced:	O2N4F5C13H15 (1)
Stoich.:	A2B4C5D13E15 (1)
Weight, g/mol:	373.10604
ΔH_f, kcal/mol:	-325.25
Dipole, Da:	4.49
IP(EA), eV:	-9.86(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Drug info:

PubChemData

Smile

C1C(CN(C1=O)CC(F)(F)F)C(=O)NCCC2=NC=CN2C(F)F

DOS

IR

Vibrations