Geometry & MOs

Info

ID:	243635
PubChem CID:	99233538
Reduced:	SO3N5C20H27 (1)
Stoich.:	AB3C5D20E27 (1)
Weight, g/mol:	418.283158
ΔH_f, kcal/mol:	-88.13
Dipole, Da:	4.75
IP(EA), eV:	-9.26(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[(2S)-2-(3-tert-butylphenoxy)propanoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)CC2=CSC(=N2)C3=NC=CC=N3

DOS

IR

Vibrations