Geometry & MOs

Info

ID:	166400
PubChem CID:	74683727
Reduced:	SN3O4C22H29 (1)
Stoich.:	AB3C4D22E29 (1)
Weight, g/mol:	405.172228
ΔH_f, kcal/mol:	-163.28
Dipole, Da:	4.25
IP(EA), eV:	-8.84(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylhexyl)-3-(8-oxo-6-sulfanylidene-8aH-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)NC(=O)CCN2C(=O)C3CC4C(CC3NC2=S)OCO4

DOS

IR

Vibrations