Geometry & MOs

Info

ID:	188938
PubChem CID:	77787236
Reduced:	ClN3O4C37H38 (1)
Stoich.:	AB3C4D37E38 (1)
Weight, g/mol:	530.162391
ΔH_f, kcal/mol:	-65.54
Dipole, Da:	4.04
IP(EA), eV:	-9.28(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamido-3-oxo-1-phenylbutan-2-yl)-3-(quinolin-6-ylsulfonylamino)benzamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC2=NC=CC(=C2C=C1)OC3=CC=C(C=C3)CC(CO)N(CC4=CC=CC=C4)CC(C5=CC(=CC=C5)Cl)O

DOS

IR

Vibrations