Geometry & MOs

Info

ID:	22549
PubChem CID:	597669
Reduced:	NOSC17H17 (1)
Stoich.:	ABCD17E17 (1)
Weight, g/mol:	283.103085
ΔH_f, kcal/mol:	40.49
Dipole, Da:	4.99
IP(EA), eV:	-8.84(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-N-(3-ethynylphenyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(S1)C(=O)NC2=CC=CC(=C2)C#C

DOS

IR

Vibrations