Geometry & MOs

Info

ID:	133215
PubChem CID:	51494556
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	413.152161
ΔH_f, kcal/mol:	-128.98
Dipole, Da:	4.84
IP(EA), eV:	-8.92(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,3-e][1,3]benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@H](C1)C(=O)N2CCC3(CC2)NC4=CC=CC=C4C(=O)N3

DOS

IR

Vibrations