Geometry & MOs

Info

ID:	420556
PubChem CID:	135113873
Reduced:	ClFSN2O4C14H18 (1)
Stoich.:	ABCD2E4F14G18 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-194.32
Dipole, Da:	6.36
IP(EA), eV:	-9.91(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC(=C(C=C2)Cl)F

DOS

IR

Vibrations