Geometry & MOs

Info

ID:	209413
PubChem CID:	80669634
Reduced:	BrSO2N3C12H20 (1)
Stoich.:	ABC2D3E12F20 (1)
Weight, g/mol:	303.04048
ΔH_f, kcal/mol:	-75.88
Dipole, Da:	4.96
IP(EA), eV:	-9.12(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-N-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine

Drug info:

PubChemData

Smile

CC1=C(C=NN1)S(=O)(=O)N(CCBr)C2CCCCC2

DOS

IR

Vibrations