Geometry & MOs

Info

ID:	440153
PubChem CID:	135230055
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	208.041414
ΔH_f, kcal/mol:	-125.64
Dipole, Da:	1.33
IP(EA), eV:	-8.74(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butylsulfanyl(propan-2-ylsulfanyl)methanethione

Drug info:

PubChemData

Smile

C1CCC(C1)(CCN)C(=O)N[C@@H](CC2=CC=C(C=C2)S)C(=O)O

DOS

IR

Vibrations