Geometry & MOs

Info

ID:	280025
PubChem CID:	103846443
Reduced:	BrSN2O2C15H23 (1)
Stoich.:	ABC2D2E15F23 (1)
Weight, g/mol:	350.04523
ΔH_f, kcal/mol:	-78.84
Dipole, Da:	6.23
IP(EA), eV:	-9.17(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

CCN(CCCNC1CCC2=C1C=CC=C2Br)S(=O)(=O)C

DOS

IR

Vibrations