Geometry & MOs

Info

ID:	208023
PubChem CID:	80481786
Reduced:	SN2O2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	251.098
ΔH_f, kcal/mol:	7.37
Dipole, Da:	4.74
IP(EA), eV:	-9.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pentanamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CC(=O)NCC2=C(C=CS2)C#CCO

DOS

IR

Vibrations