Geometry & MOs

Info

ID:	273177
PubChem CID:	103770630
Reduced:	BrFNO2C16H21 (1)
Stoich.:	ABCD2E16F21 (1)
Weight, g/mol:	313.151178
ΔH_f, kcal/mol:	-123.59
Dipole, Da:	2.49
IP(EA), eV:	-9.75(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-2-hydroxypentyl)-3-(4-fluorophenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)/C=C/C1=C(C=CC(=C1)Br)F)O

DOS

IR

Vibrations