Geometry & MOs

Info

ID:	263859
PubChem CID:	103401889
Reduced:	ClN2O2S2H9C11 (1)
Stoich.:	AB2C2D2E9F11 (1)
Weight, g/mol:	293.100499
ΔH_f, kcal/mol:	-24.19
Dipole, Da:	7.3
IP(EA), eV:	-9.42(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(=O)NC2=NC(=CS2)C(=O)C

DOS

IR

Vibrations