Geometry & MOs

Info

ID:	279368
PubChem CID:	103843444
Reduced:	BrClNO3C15H21 (1)
Stoich.:	ABCD3E15F21 (1)
Weight, g/mol:	317.126106
ΔH_f, kcal/mol:	-133.92
Dipole, Da:	3.04
IP(EA), eV:	-9.47(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethylsulfanyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)COC1=C(C=C(C=C1)Cl)Br)CO

DOS

IR

Vibrations