Geometry & MOs

Info

ID:	182435
PubChem CID:	76888838
Reduced:	SO2N5C28H33 (1)
Stoich.:	AB2C5D28E33 (1)
Weight, g/mol:	417.208613
ΔH_f, kcal/mol:	8.4
Dipole, Da:	3.29
IP(EA), eV:	-8.66(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-oxo-N-[2-(4-propan-2-ylphenoxy)ethyl]-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3NN=C(N3C4CCCCC4C2=O)SCC(=O)N(CC5=CC=CC=C5)C6CC6

DOS

IR

Vibrations