Geometry & MOs

Info

ID:	243775
PubChem CID:	99239506
Reduced:	NO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	477.193357
ΔH_f, kcal/mol:	-130.08
Dipole, Da:	3.24
IP(EA), eV:	-9.01(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]-[(4-methylphenyl)methyl]amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=C(C=C1)C)C(=O)[C@H]2CC3=CC=CC=C3O2

DOS

IR

Vibrations