Geometry & MOs

Info

ID:	228741
PubChem CID:	87565653
Reduced:	N3O8C24H43 (1)
Stoich.:	A3B8C24D43 (1)
Weight, g/mol:	433.147156
ΔH_f, kcal/mol:	-397.05
Dipole, Da:	7.59
IP(EA), eV:	-9.53(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(Z)-[1-[1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]pyrazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(C)OC.CC(C)(C)OC(=O)N1CCC(CC1)C(=O)O

DOS

IR

Vibrations