Geometry & MOs

Info

ID:	79636
PubChem CID:	49829800
Reduced:	ClO2N3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	418.075406
ΔH_f, kcal/mol:	-13.37
Dipole, Da:	4.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.164244
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-7-methoxyquinolin-3-yl)methyl 3-acetamido-3-thiophen-2-ylpropanoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)[NH2+]CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations