Geometry & MOs

Info

ID:	401350
PubChem CID:	135051034
Reduced:	NO2S2H7C8 (1)
Stoich.:	AB2C2D7E8 (1)
Weight, g/mol:	182.990948
ΔH_f, kcal/mol:	9.18
Dipole, Da:	3.14
IP(EA), eV:	-8.48(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-ethynylsulfanylaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N=S=O)C=S=O

DOS

IR

Vibrations