Geometry & MOs

Info

ID:	366883
PubChem CID:	127321785
Reduced:	SO2N6C15H22 (1)
Stoich.:	AB2C6D15E22 (1)
Weight, g/mol:	321.162332
ΔH_f, kcal/mol:	6.24
Dipole, Da:	7.71
IP(EA), eV:	-8.6(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azaspiro[5.5]undec-9-en-2-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C2C(=NN=C2N(N1)C)NC(=O)CSCC(=O)N3CCCCC3

DOS

IR

Vibrations