Geometry & MOs

Info

ID:	208012
PubChem CID:	80481372
Reduced:	OSN3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	362.00885
ΔH_f, kcal/mol:	36.75
Dipole, Da:	4.94
IP(EA), eV:	-8.54(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-aminoprop-1-ynyl)-N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NCC2=C(C=CS2)C#CCN

DOS

IR

Vibrations