Geometry & MOs

Info

ID:	412789
PubChem CID:	135085718
Reduced:	NSO4C9H13 (1)
Stoich.:	ABC4D9E13 (1)
Weight, g/mol:	260.032957
ΔH_f, kcal/mol:	-157.11
Dipole, Da:	5.2
IP(EA), eV:	-8.41(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenoxybut-2-ynylsulfanyl)thiophene

Drug info:

PubChemData

Smile

CC1=C(S(=O)CCN1C(=O)C)C(=O)OC

DOS

IR

Vibrations