Geometry & MOs

Info

ID:	436926
PubChem CID:	135213006
Reduced:	SF3N3O3C30H34 (1)
Stoich.:	AB3C3D3E30F34 (1)
Weight, g/mol:	476.213364
ΔH_f, kcal/mol:	-222.9
Dipole, Da:	2.08
IP(EA), eV:	-9.11(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9S)-6-(2-methylphenyl)sulfonyl-9-(4-phenylphenyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=CC=C(C=C2)[C@@H]3[C@H](N4C3CN(CCCC4)S(=O)(=O)C5=C(N=C(C=C5)C(F)(F)F)C)CO)C

DOS

IR

Vibrations