Geometry & MOs

Info

ID:	243196
PubChem CID:	99216833
Reduced:	OSN7C26H31 (1)
Stoich.:	ABC7D26E31 (1)
Weight, g/mol:	472.250812
ΔH_f, kcal/mol:	60.51
Dipole, Da:	8.14
IP(EA), eV:	-8.81(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)SCC3=CC=CC=C3C(=O)N[C@H]4CCCC5=C4C=NN5C(C)(C)C)C

DOS

IR

Vibrations