Geometry & MOs

Info

ID:	145918
PubChem CID:	53611791
Reduced:	N2O5C17H18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	276.104482
ΔH_f, kcal/mol:	-151.34
Dipole, Da:	3.63
IP(EA), eV:	-9.38(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzylsulfanyl-1-(oxan-4-yl)tetrazole

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)OCC(=O)N(C2CC2)C3CC(=O)NC3=O

DOS

IR

Vibrations