Geometry & MOs

Info

ID:	369955
PubChem CID:	127336946
Reduced:	N3O5C18H29 (1)
Stoich.:	A3B5C18D29 (1)
Weight, g/mol:	396.171893
ΔH_f, kcal/mol:	-247.04
Dipole, Da:	6.96
IP(EA), eV:	-9.72(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-hydroxy-2-(oxan-4-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)NCC(C3CCOCC3)O

DOS

IR

Vibrations