Geometry & MOs

Info

ID:	436905
PubChem CID:	135212792
Reduced:	ClNSO4H14C17 (1)
Stoich.:	ABCD4E14F17 (1)
Weight, g/mol:	616.163061
ΔH_f, kcal/mol:	-87.51
Dipole, Da:	2.5
IP(EA), eV:	-8.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8R,10S)-9-[4-[2-fluoro-3-(trifluoromethyl)phenyl]phenyl]-6-[2-(trifluoromethyl)phenyl]sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)OC2=C(OC(C2=O)C3=CC(=CC=C3)Cl)N

DOS

IR

Vibrations