Geometry & MOs

Info

ID:	166672
PubChem CID:	74723211
Reduced:	O2N5C10H20 (1)
Stoich.:	A2B5C10D20 (1)
Weight, g/mol:	446.08672
ΔH_f, kcal/mol:	-66.04
Dipole, Da:	3.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755768
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)NC(=[N+]2CCOCC2)N

DOS

IR

Vibrations