Geometry & MOs

Info

ID:	202594
PubChem CID:	79696511
Reduced:	NSO2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	265.11365
ΔH_f, kcal/mol:	-40.61
Dipole, Da:	2.18
IP(EA), eV:	-9.51(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(C(C1)C)NC(=O)C2=CSC(=C2)C#CCO

DOS

IR

Vibrations