Geometry & MOs

Info

ID:	193236
PubChem CID:	78360848
Reduced:	BrSN3O3C23H24 (1)
Stoich.:	ABC3D3E23F24 (1)
Weight, g/mol:	518.05111
ΔH_f, kcal/mol:	-40.7
Dipole, Da:	4.69
IP(EA), eV:	-9.4(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2C3=C(C(=O)N2C4=NN=CS4)OC5CCC(CC5C3=O)Br

DOS

IR

Vibrations