Geometry & MOs

Info

ID:	297804
PubChem CID:	117632028
Reduced:	N3O5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	706.291547
ΔH_f, kcal/mol:	-144.02
Dipole, Da:	4.81
IP(EA), eV:	-9.23(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-chloro-4-[5-(cyclopropylsulfonylamino)pyridin-3-yl]benzoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1(C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)NC(=O)O)O

DOS

IR

Vibrations