Geometry & MOs

Info

ID:	192366
PubChem CID:	78261549
Reduced:	NO6C28H29 (1)
Stoich.:	AB6C28D29 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-172.85
Dipole, Da:	2.78
IP(EA), eV:	-8.8(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C2C3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)OC6CCCCC6C3=O

DOS

IR

Vibrations