Geometry & MOs

Info

ID:	81229
PubChem CID:	49854486
Reduced:	SN4O5H24C27 (1)
Stoich.:	AB4C5D24E27 (1)
Weight, g/mol:	524.172956
ΔH_f, kcal/mol:	-90.16
Dipole, Da:	11.52
IP(EA), eV:	-8.91(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxolan-2-ylmethyl 4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)OC5=CC=CC=C5

DOS

IR

Vibrations