Geometry & MOs

Info

ID:	179342
PubChem CID:	76468870
Reduced:	N3O10C22H39 (1)
Stoich.:	A3B10C22D39 (1)
Weight, g/mol:	487.205339
ΔH_f, kcal/mol:	-492.13
Dipole, Da:	7.85
IP(EA), eV:	-10.21(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-fluorophenyl)methyl]-1,1-dioxo-N-(3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-1,4-thiazinane-2-carboxamide

Drug info:

PubChemData

Smile

C(CCCCCC(=O)NC1C(C(C(OC1O)CO)O)O)CCCCC(=O)NCC(=O)NCC(=O)O

DOS

IR

Vibrations