Geometry & MOs

Info

ID:	192215
PubChem CID:	78246705
Reduced:	SN3O4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	453.172228
ΔH_f, kcal/mol:	-47.34
Dipole, Da:	4.98
IP(EA), eV:	-8.97(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-butoxyphenyl)-2-(5-methyl-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

CC1=NN=C(S1)N2C(C3=C(C2=O)OC4CCCCC4C3=O)C5=CC(=CC=C5)OCC=C

DOS

IR

Vibrations