Geometry & MOs

Info

ID:	136650
PubChem CID:	52078799
Reduced:	S2N3O3C23H25 (1)
Stoich.:	A2B3C3D23E25 (1)
Weight, g/mol:	485.234828
ΔH_f, kcal/mol:	-44.17
Dipole, Da:	4.09
IP(EA), eV:	-8.6(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN2[C@H]3CCS(=O)(=O)C3)C(=O)N(CC4=CC=CS4)C5=CC=CC=C5

DOS

IR

Vibrations