Geometry & MOs

Info

ID:	166399
PubChem CID:	74683726
Reduced:	SO4N5C22H23 (1)
Stoich.:	AB4C5D22E23 (1)
Weight, g/mol:	431.187878
ΔH_f, kcal/mol:	-51.58
Dipole, Da:	4.3
IP(EA), eV:	-8.7(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-oxo-6-sulfanylidene-4,4a,5,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-(4-phenylbutan-2-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=N2)C(=O)CCCN3C(=O)C4C=C5C(=CC4=NC3=S)OCO5

DOS

IR

Vibrations