Geometry & MOs

Info

ID:	278235
PubChem CID:	103834246
Reduced:	SN2O3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	308.075012
ΔH_f, kcal/mol:	-84.61
Dipole, Da:	4.25
IP(EA), eV:	-9.68(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)S(=O)(=O)N2CCCC2CO

DOS

IR

Vibrations