Geometry & MOs

Info

ID:	305286
PubChem CID:	124767959
Reduced:	OC10H15 (2)
Stoich.:	AB10C15 (2)
Weight, g/mol:	510.197714
ΔH_f, kcal/mol:	-122.84
Dipole, Da:	2.03
IP(EA), eV:	-9.41(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]sulfanyl-N-(2-ethyl-6-methylphenyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)C[C@H](C)C2=CC=CC=C2)C(C)C

DOS

IR

Vibrations