Geometry & MOs

Info

ID:	243194
PubChem CID:	99216828
Reduced:	OSN4C23H30 (1)
Stoich.:	ABC4D23E30 (1)
Weight, g/mol:	468.16314
ΔH_f, kcal/mol:	-1.06
Dipole, Da:	4.09
IP(EA), eV:	-8.55(-0.36)
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]-2-(2-fluorophenyl)sulfanyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)N[C@@H]3CCCC4=C3C=NN4C(C)(C)C

DOS

IR

Vibrations