Geometry & MOs

Info

ID:	430307
PubChem CID:	135170371
Reduced:	N3C25H37 (1)
Stoich.:	A3B25C37 (1)
Weight, g/mol:	467.123895
ΔH_f, kcal/mol:	-13.33
Dipole, Da:	2.89
IP(EA), eV:	-7.94(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,5-trifluoro-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

CC1=CC2=C(C=C1CCCCN3CCCC3)N=C(C4=C2CCC4)NC(C)(C)C

DOS

IR

Vibrations