Geometry & MOs

Info

ID:	388677
PubChem CID:	134989849
Reduced:	HPN3C5Cl5 (1)
Stoich.:	ABC3D5E5 (1)
Weight, g/mol:	217.07074
ΔH_f, kcal/mol:	-19.27
Dipole, Da:	5.89
IP(EA), eV:	-10.15(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butan-1-amine

Drug info:

PubChemData

Smile

C(#N)C1=C(N=P(N=C1Cl)(Cl)Cl)C(Cl)Cl

DOS

IR

Vibrations