Geometry & MOs

Info

ID:	134187
PubChem CID:	51659290
Reduced:	SO3N4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	161.123821
ΔH_f, kcal/mol:	-64.77
Dipole, Da:	5.83
IP(EA), eV:	-8.94(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-butylsulfanylbutan-1-amine

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)CC2=CC=C(C=C2)CNC(=O)C3=CN=C4N(C3=O)C=CS4

DOS

IR

Vibrations