Geometry & MOs

Info

ID:	193239
PubChem CID:	78361881
Reduced:	SN2O5C28H32 (1)
Stoich.:	AB2C5D28E32 (1)
Weight, g/mol:	524.234493
ΔH_f, kcal/mol:	-170.58
Dipole, Da:	6.24
IP(EA), eV:	-8.99(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hexoxy-3-methoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2C3=C(C(=O)N2C4=NC(=C(S4)C(=O)OCC)C)OC5CC(C(CC5C3=O)C)C

DOS

IR

Vibrations