Geometry & MOs

Info

ID:	292145
PubChem CID:	114465861
Reduced:	ClSN3O4C11H12 (1)
Stoich.:	ABC3D4E11F12 (1)
Weight, g/mol:	311.074678
ΔH_f, kcal/mol:	-111.42
Dipole, Da:	4.22
IP(EA), eV:	-9.12(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine

Drug info:

PubChemData

Smile

COC(=O)NS(=O)(=O)NC1=C(C=CC(=C1)Cl)C#CCN

DOS

IR

Vibrations