Geometry & MOs

Info

ID:	81129
PubChem CID:	49854382
Reduced:	ClS2N4O5H25C26 (1)
Stoich.:	AB2C4D5E25F26 (1)
Weight, g/mol:	549.123753
ΔH_f, kcal/mol:	-124.19
Dipole, Da:	9.12
IP(EA), eV:	-8.3(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=C(C=CC(=C5)Cl)OC)SC1=O

DOS

IR

Vibrations