Geometry & MOs

Info

ID:	81418
PubChem CID:	49854704
Reduced:	ClFSO3N5H19C21 (1)
Stoich.:	ABCD3E5F19G21 (1)
Weight, g/mol:	578.163534
ΔH_f, kcal/mol:	-76.08
Dipole, Da:	2.43
IP(EA), eV:	-9.09(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2-fluoro-3-methoxybenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC(=N2)Cl)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations