Geometry & MOs

Info

ID:	55888
PubChem CID:	17397057
Reduced:	BrSN2O2C15H15 (1)
Stoich.:	ABC2D2E15F15 (1)
Weight, g/mol:	330.051968
ΔH_f, kcal/mol:	-25.78
Dipole, Da:	1.17
IP(EA), eV:	-9.23(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-phenyltetrazol-5-one

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CC2=NC(=CS2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations