Geometry & MOs

Info

ID:	209250
PubChem CID:	80643926
Reduced:	ClON2S2C10H13 (1)
Stoich.:	ABC2D2E10F13 (1)
Weight, g/mol:	275.017163
ΔH_f, kcal/mol:	-25.9
Dipole, Da:	6.38
IP(EA), eV:	-8.48(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1=CSC(=C1Cl)C(=O)NCCCCC(=S)N

DOS

IR

Vibrations