Geometry & MOs

Info

ID:	421796
PubChem CID:	135116628
Reduced:	NSO5C17H23 (1)
Stoich.:	ABC5D17E23 (1)
Weight, g/mol:	368.209993
ΔH_f, kcal/mol:	-192.78
Dipole, Da:	10.55
IP(EA), eV:	-10.01(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aS,7R,7aR)-7-hydroxy-7-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)N2CC[C@H]([C@@](C2)(CC3CC3)C(=O)O)O

DOS

IR

Vibrations