Geometry & MOs

Info

ID:	430311
PubChem CID:	135170375
Reduced:	PN2O6C21H41 (1)
Stoich.:	AB2C6D21E41 (1)
Weight, g/mol:	465.103767
ΔH_f, kcal/mol:	-350.96
Dipole, Da:	4.44
IP(EA), eV:	-9.62(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-fluoro-N-[1-[(1R,5R,6R)-8-(2H-triazole-4-carbonyl)-8-azatricyclo[4.3.0.02,5]nonan-2-yl]prop-2-enyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(CCO)OCCC(C)(C)OC(=O)NC1CC(CC(C1)(C)CNC(=O)OP)(C)C

DOS

IR

Vibrations