Geometry & MOs

Info

ID:	229048
PubChem CID:	87566842
Reduced:	SF3N5O5C14H18 (1)
Stoich.:	AB3C5D5E14F18 (1)
Weight, g/mol:	311.105211
ΔH_f, kcal/mol:	-275.58
Dipole, Da:	7.35
IP(EA), eV:	-9.01(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[(E)-(4-acetylsulfanylpiperidin-3-ylidene)methyl]tetrazol-2-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=NN(N=N2)CC(=O)OC.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations