Geometry & MOs

Info

ID:	229501
PubChem CID:	87567861
Reduced:	NSO4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	433.147156
ΔH_f, kcal/mol:	-134.04
Dipole, Da:	2.95
IP(EA), eV:	-8.57(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(Z)-[1-[1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]pyrazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C/C(=C/1\C=C(C=CC1=O)O)/NC(CS)C(=O)O

DOS

IR

Vibrations