Geometry & MOs

Info

ID:	415621
PubChem CID:	135088620
Reduced:	ClNS2O5C14H18 (1)
Stoich.:	ABC2D5E14F18 (1)
Weight, g/mol:	377.138699
ΔH_f, kcal/mol:	-172.62
Dipole, Da:	4.47
IP(EA), eV:	-9.85(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluoro-3-methoxyphenyl)-3-(3-oxo-4-propylpiperazin-1-yl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@@H]1O)(CC2CC2)C(=O)O)S(=O)(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations