Geometry & MOs

Info

ID:	80313
PubChem CID:	49834014
Reduced:	ClS2N4O4F6H19C23 (1)
Stoich.:	AB2C4D4E6F19G23 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	-385.19
Dipole, Da:	5.3
IP(EA), eV:	-9.92(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethyl-3-(5-methyltetrazol-2-yl)propan-1-amine

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(S2)Cl)C(=O)NCC3=CC(=NC(=N3)OCC(F)(F)F)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations