Geometry & MOs

Info

ID:	243680
PubChem CID:	99233955
Reduced:	BrN3O4C20H28 (1)
Stoich.:	AB3C4D20E28 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-185.18
Dipole, Da:	2.88
IP(EA), eV:	-9.49(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)CNC(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations