Geometry & MOs

Info

ID:	273667
PubChem CID:	103771647
Reduced:	NSO3C8H11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-108.16
Dipole, Da:	2.1
IP(EA), eV:	-9.42(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpent-2-enamide

Drug info:

PubChemData

Smile

COC(=O)NCC(C1=CSC=C1)O

DOS

IR

Vibrations