Geometry & MOs

Info

ID:	81040
PubChem CID:	49854280
Reduced:	SN5O5H27C28 (1)
Stoich.:	AB5C5D27E28 (1)
Weight, g/mol:	551.143882
ΔH_f, kcal/mol:	-94.91
Dipole, Da:	8.26
IP(EA), eV:	-8.41(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations