Geometry & MOs

Info

ID:	229065
PubChem CID:	87566864
Reduced:	N2O3C10H22 (1)
Stoich.:	A2B3C10D22 (1)
Weight, g/mol:	487.205339
ΔH_f, kcal/mol:	-133.74
Dipole, Da:	4.07
IP(EA), eV:	-9.67(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCN(CCC[C@H](C(=O)O)N)O

DOS

IR

Vibrations