Geometry & MOs

Info

ID:	207634
PubChem CID:	80429515
Reduced:	OS2N4C10H16 (1)
Stoich.:	AB2C4D10E16 (1)
Weight, g/mol:	259.11769
ΔH_f, kcal/mol:	-6.44
Dipole, Da:	4.71
IP(EA), eV:	-9.14(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]propyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CCNC1(CCC(C1)SC2=NC=NS2)C(=O)N

DOS

IR

Vibrations