Geometry & MOs

Info

ID:	229119
PubChem CID:	87566998
Reduced:	ClN2O2F4H9C14 (1)
Stoich.:	AB2C2D4E9F14 (1)
Weight, g/mol:	431.142739
ΔH_f, kcal/mol:	-224.14
Dipole, Da:	3.28
IP(EA), eV:	-10.17(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]tetrazol-2-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)CCC2=CN=C(C=N2)Cl)OC(F)(F)F)F

DOS

IR

Vibrations