Geometry & MOs

Info

ID:	31316
PubChem CID:	855566
Reduced:	NSO4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	333.103479
ΔH_f, kcal/mol:	-115.17
Dipole, Da:	7.15
IP(EA), eV:	-8.93(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

CCC1=C(N=C2C=C3C(=CC2=C1)OCO3)SCC(=O)O

DOS

IR

Vibrations