Geometry & MOs

Info

ID:	273365
PubChem CID:	103770967
Reduced:	BrFNO3C14H19 (1)
Stoich.:	ABCD3E14F19 (1)
Weight, g/mol:	247.1606
ΔH_f, kcal/mol:	-168.32
Dipole, Da:	2.08
IP(EA), eV:	-9.97(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butylsulfanyl-N-(2-hydroxy-4-methylpentyl)acetamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)COC1=C(C=C(C=C1)Br)F)O

DOS

IR

Vibrations