Geometry & MOs

Info

ID:	272239
PubChem CID:	103736408
Reduced:	ClS2N3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	211.114319
ΔH_f, kcal/mol:	81.51
Dipole, Da:	3.97
IP(EA), eV:	-9.04(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,2-dimethylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine

Drug info:

PubChemData

Smile

C1CC1C2=NSC(=N2)NCCC3=CC=C(S3)Cl

DOS

IR

Vibrations