Geometry & MOs

Info

ID:	224010
PubChem CID:	85336959
Reduced:	SN3O3H21C26 (1)
Stoich.:	AB3C3D21E26 (1)
Weight, g/mol:	459.284555
ΔH_f, kcal/mol:	2.5
Dipole, Da:	3.24
IP(EA), eV:	-8.68(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-oxo-3-phenyl-1-[4-[(pyrazolidine-4-carbonylamino)methyl]piperidin-1-yl]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=S)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations