Geometry & MOs

Info

ID:	193224
PubChem CID:	78359049
Reduced:	ClSN3O5C27H32 (1)
Stoich.:	ABC3D5E27F32 (1)
Weight, g/mol:	411.125277
ΔH_f, kcal/mol:	-143.59
Dipole, Da:	3.91
IP(EA), eV:	-8.57(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxyphenyl)-7-methyl-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

CCOC1=C(C=CC(=C1)C2C3=C(C(=O)N2C4=NN=C(S4)C)OC5CCC(CC5C3=O)Cl)OCCC(C)C

DOS

IR

Vibrations