Geometry & MOs

Info

ID:	198784
PubChem CID:	79149868
Reduced:	ClSO2N3C11H14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	253.032813
ΔH_f, kcal/mol:	-81.38
Dipole, Da:	2.63
IP(EA), eV:	-8.57(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(5-methylfuran-2-yl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

CNC(=O)NC(=O)CCSC1=CC(=C(C=C1)N)Cl

DOS

IR

Vibrations