Geometry & MOs

Info

ID:	242812
PubChem CID:	99206454
Reduced:	SF2O2N4H16C21 (1)
Stoich.:	AB2C2D4E16F21 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-67.33
Dipole, Da:	3.69
IP(EA), eV:	-8.75(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=C(C=CC(=C3)F)F)C(=O)C4=CSC=C4

DOS

IR

Vibrations