Geometry & MOs

Info

ID:	300203
PubChem CID:	121269849
Reduced:	BrNSF2O3H8C14 (1)
Stoich.:	ABCD2E3F8G14 (1)
Weight, g/mol:	338.023593
ΔH_f, kcal/mol:	-135.86
Dipole, Da:	5.82
IP(EA), eV:	-9.89(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclopropylmethoxy)-4-(difluoromethyl)-2,2-difluoro-1,1-dioxo-1-benzothiophen-3-one

Drug info:

PubChemData

Smile

C1=CC2=C(C(=CS2(=O)=O)N)C(=C1OC3=CC(=CC(=C3)F)F)Br

DOS

IR

Vibrations