Geometry & MOs

Info

ID:	140486
PubChem CID:	52707822
Reduced:	O2N6C15H20 (1)
Stoich.:	A2B6C15D20 (1)
Weight, g/mol:	393.98092
ΔH_f, kcal/mol:	17.61
Dipole, Da:	3.39
IP(EA), eV:	-8.84(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-cyano-5-ethylthiophen-2-yl)acetamide

Drug info:

PubChemData

Smile

C1COCCN1CCC2=CC=C(C=C2)NC(=O)CN3C=NN=N3

DOS

IR

Vibrations