Geometry & MOs

Info

ID:	373546
PubChem CID:	131316845
Reduced:	ClNO2F3C9H9 (1)
Stoich.:	ABC2D3E9F9 (1)
Weight, g/mol:	231.986197
ΔH_f, kcal/mol:	-224.93
Dipole, Da:	2.06
IP(EA), eV:	-9.64(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-1-benzothiophene-4,7-dicarbonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1[C@H](C(CO)(F)F)N)O)F)Cl

DOS

IR

Vibrations