Geometry & MOs

Info

ID:	29501
PubChem CID:	834497
Reduced:	ClSN2O2C17H17 (1)
Stoich.:	ABC2D2E17F17 (1)
Weight, g/mol:	348.106312
ΔH_f, kcal/mol:	-22.52
Dipole, Da:	6.07
IP(EA), eV:	-8.56(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(4-methylsulfanylphenyl)methyl]-4-morpholin-4-ylaniline

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=C1OC)CNC2=NC3=C(S2)C=C(C=C3)Cl

DOS

IR

Vibrations