Geometry & MOs

Info

ID:	282643
PubChem CID:	103933987
Reduced:	OS2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	354.99901
ΔH_f, kcal/mol:	27.64
Dipole, Da:	3.4
IP(EA), eV:	-8.89(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NCC2=CC=C(O2)CSC

DOS

IR

Vibrations