Geometry & MOs

Info

ID:	187860
PubChem CID:	77635585
Reduced:	FS2N3O4C25H34 (1)
Stoich.:	AB2C3D4E25F34 (1)
Weight, g/mol:	410.24819
ΔH_f, kcal/mol:	-180.73
Dipole, Da:	9.18
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[3-(4-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-4-yl]amino]-2-methylpropyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(C)CS(=O)(=O)C2CCCC3C2C(NN3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations