Geometry & MOs

Info

ID:	271513
PubChem CID:	103681834
Reduced:	BrNSO2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	335.082528
ΔH_f, kcal/mol:	-60.44
Dipole, Da:	3.68
IP(EA), eV:	-8.35(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1(CC1)C2=CC=C(C=C2)Br)(CSC)O

DOS

IR

Vibrations