Geometry & MOs

Info

ID:	262397
PubChem CID:	103290645
Reduced:	ClNSO2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	325.045876
ΔH_f, kcal/mol:	-40.46
Dipole, Da:	4.24
IP(EA), eV:	-8.82(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-6-[(2-chlorophenyl)methylsulfanyl]phenyl]propan-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSCC2=C(N=CC=C2)C(=O)O)Cl

DOS

IR

Vibrations