Geometry & MOs

Info

ID:	414326
PubChem CID:	135087282
Reduced:	NSO5C22H25 (1)
Stoich.:	ABC5D22E25 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-167.97
Dipole, Da:	4.72
IP(EA), eV:	-9.34(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aS,7R,7aR)-7-hydroxy-7-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carbonyl]-5-methoxy-1H-pyridin-4-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1S(=O)(=O)N2C[C@H]3CCC[C@@]([C@H]3C2)(C4=CC=CC=C4)O

DOS

IR

Vibrations