Geometry & MOs

Info

ID:	262364
PubChem CID:	103288373
Reduced:	ClNSO2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	292.080097
ΔH_f, kcal/mol:	-55.08
Dipole, Da:	0.82
IP(EA), eV:	-8.62(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methylsulfanyl]-1-pyridin-3-ylpropan-2-amine

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC=C1N)CSCC2=CC=CC=C2Cl

DOS

IR

Vibrations