Geometry & MOs

Info

ID:	436931
PubChem CID:	135213057
Reduced:	FSC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	612.188133
ΔH_f, kcal/mol:	-15.54
Dipole, Da:	3.87
IP(EA), eV:	-7.04(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)S2(CCCC2)C

DOS

IR

Vibrations