Geometry & MOs

Info

ID:	243631
PubChem CID:	99233515
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	428.178121
ΔH_f, kcal/mol:	-145.82
Dipole, Da:	6.21
IP(EA), eV:	-9.36(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)C3=CN=CO3

DOS

IR

Vibrations