Geometry & MOs

Info

ID:	308215
PubChem CID:	125321614
Reduced:	S2N3O4C25H29 (1)
Stoich.:	A2B3C4D25E29 (1)
Weight, g/mol:	241.204179
ΔH_f, kcal/mol:	-100.2
Dipole, Da:	9.26
IP(EA), eV:	-8.72(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6R)-1-hydroxy-4-methyl-6-[(2R)-2,4,4-trimethylpentyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)[C@@H](C=N2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations