Geometry & MOs

Info

ID:	229445
PubChem CID:	87567678
Reduced:	SN3O4F6H17C20 (1)
Stoich.:	AB3C4D6E17F20 (1)
Weight, g/mol:	431.142739
ΔH_f, kcal/mol:	-434.81
Dipole, Da:	4.08
IP(EA), eV:	-9.9(-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-1-yl]acetic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C(=O)N1CC2=C(C=NC=C2)C)C3=CC=C(C=C3)SC(F)(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations