Geometry & MOs

Info

ID:	193105
PubChem CID:	78345440
Reduced:	BrN3O6H14C19 (1)
Stoich.:	AB3C6D14E19 (1)
Weight, g/mol:	504.03546
ΔH_f, kcal/mol:	-94.26
Dipole, Da:	4.02
IP(EA), eV:	-9.42(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-1-(2,3-dimethoxyphenyl)-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

C1=CC(=CC(=C1)Br)C(=O)OC2=CC=C(C=C2)C=CC3C(C(=O)NC(=O)N3)[N+](=O)[O-]

DOS

IR

Vibrations