Geometry & MOs

Info

ID:	273137
PubChem CID:	103770554
Reduced:	FNO3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	244.124549
ΔH_f, kcal/mol:	-185.82
Dipole, Da:	2.48
IP(EA), eV:	-9.03(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethylsulfanyl)-N-(3-ethyl-2-hydroxypentyl)acetamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)CCOC1=CC=C(C=C1)F)O

DOS

IR

Vibrations