Geometry & MOs

Info

ID:	170527
PubChem CID:	75247836
Reduced:	NO5C24H31 (1)
Stoich.:	AB5C24D31 (1)
Weight, g/mol:	578.17343
ΔH_f, kcal/mol:	-238.37
Dipole, Da:	7.15
IP(EA), eV:	-8.98(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 7-[(2-fluorophenyl)methylcarbamoyloxy]-7a-hydroxy-2-(4-methylphenyl)sulfonyl-3,3a,4,5,6,7-hexahydro-1H-isoindole-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1(C2CCC(CC2C3=C(C=C(C=C3O1)C(=O)N4C5CC6CC4CC(C5)O6)O)O)C

DOS

IR

Vibrations