Geometry & MOs

Info

ID:	157429
PubChem CID:	56424127
Reduced:	NOSF3C16H16 (1)
Stoich.:	ABCD3E16F16 (1)
Weight, g/mol:	379.139528
ΔH_f, kcal/mol:	-167.16
Dipole, Da:	2.6
IP(EA), eV:	-9.47(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC=CS1)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations