Geometry & MOs

Info

ID:	214437
PubChem CID:	84982117
Reduced:	S3N5C18H22 (1)
Stoich.:	A3B5C18D22 (1)
Weight, g/mol:	412.085971
ΔH_f, kcal/mol:	130.39
Dipole, Da:	4.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.815709
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloroquinolin-8-yl)oxy-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

C=CCNC1=NN(C(=S)S1)C[NH+]2CCCCC2C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations