Geometry & MOs

Info

ID:	184568
PubChem CID:	77176615
Reduced:	Cl2N2O3C17H20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-130.52
Dipole, Da:	3.85
IP(EA), eV:	-9.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[5-[(4-oxo-3H-quinoline-3-carbonyl)amino]-2-propan-2-ylphenyl]carbamate

Drug info:

PubChemData

Smile

CC(C1=CC=NC=C1)OC2=C(C=CC(=C2)C(CC(=O)O)CN)Cl.Cl

DOS

IR

Vibrations