Geometry & MOs

Info

ID:	377740
PubChem CID:	134223804
Reduced:	BrNSH14C24 (1)
Stoich.:	ABCD14E24 (1)
Weight, g/mol:	121.036149
ΔH_f, kcal/mol:	111.14
Dipole, Da:	2.24
IP(EA), eV:	-8.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[fluoro(dimethyl)-lambda4-sulfanyl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)Br)C4=C2C=C5C(=C4)C6=CC=CC=C6S5

DOS

IR

Vibrations