Geometry & MOs

Info

ID:	263832
PubChem CID:	103401077
Reduced:	SN2O5C11H18 (1)
Stoich.:	AB2C5D11E18 (1)
Weight, g/mol:	323.111063
ΔH_f, kcal/mol:	-176.82
Dipole, Da:	4.79
IP(EA), eV:	-9.98(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-methylthiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

COCCOCCCOC1=NC=C(C=C1)S(=O)(=O)N

DOS

IR

Vibrations