Geometry & MOs

Info

ID:	302230
PubChem CID:	124360818
Reduced:	N2O4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	481.203528
ΔH_f, kcal/mol:	-154.83
Dipole, Da:	4.85
IP(EA), eV:	-9.24(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9bS)-N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC)NC(=O)NC1=CC=C(C=C1)C(=O)C

DOS

IR

Vibrations