Geometry & MOs

Info

ID:	401373
PubChem CID:	135051087
Reduced:	SO2C5N5H11 (1)
Stoich.:	AB2C5D5E11 (1)
Weight, g/mol:	273.037898
ΔH_f, kcal/mol:	4.57
Dipole, Da:	6.33
IP(EA), eV:	-9.18(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-chloro-N-ethynylsulfanylaniline

Drug info:

PubChemData

Smile

CC(C)NC(=S)/N=C(/N)\N[N+](=O)[O-]

DOS

IR

Vibrations