Geometry & MOs

Info

ID:	160180
PubChem CID:	57304927
Reduced:	PN2S2O5C24H31 (1)
Stoich.:	AB2C2D5E24F31 (1)
Weight, g/mol:	182.990948
ΔH_f, kcal/mol:	-224.46
Dipole, Da:	4.1
IP(EA), eV:	-8.23(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-sulfanylphenyl)acetonitrile

Drug info:

PubChemData

Smile

CC1(CC2=CC=COC2=C1OC(=O)N(C)SN(CC3=CC=CC=C3)P4(=S)OCC(CO4)(C)C)C

DOS

IR

Vibrations