Geometry & MOs

Info

ID:	271233
PubChem CID:	103648971
Reduced:	SO3N4C8H14 (1)
Stoich.:	AB3C4D8E14 (1)
Weight, g/mol:	259.079763
ΔH_f, kcal/mol:	-101.45
Dipole, Da:	3.64
IP(EA), eV:	-9.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3-chlorophenyl)methylamino]ethylsulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

C(CO)CSCCNC1=NNC(=O)NC1=O

DOS

IR

Vibrations