Geometry & MOs

Info

ID:	217897
PubChem CID:	85088550
Reduced:	SN3O4C20H31 (1)
Stoich.:	AB3C4D20E31 (1)
Weight, g/mol:	417.103116
ΔH_f, kcal/mol:	-181.62
Dipole, Da:	6.8
IP(EA), eV:	-8.97(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-7-fluoro-5-phenyl-N-(2,3,5,6-tetrafluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CCSC)NC(C)C(=O)O

DOS

IR

Vibrations