Geometry & MOs

Info

ID:	192278
PubChem CID:	78252107
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	469.167142
ΔH_f, kcal/mol:	-10.07
Dipole, Da:	4.27
IP(EA), eV:	-8.51(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-3-methoxyphenyl)-2-[5-(2-methylpropyl)-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

CC(C)N1CCC2(CC1)N3C(C=C(N3)C4=CC=C(C=C4)OC)C5=CC=CC=C5O2

DOS

IR

Vibrations