Geometry & MOs

Info

ID:	436935
PubChem CID:	135213106
Reduced:	NC5H11 (2)
Stoich.:	AB5C11 (2)
Weight, g/mol:	609.360028
ΔH_f, kcal/mol:	-27.06
Dipole, Da:	1.1
IP(EA), eV:	-8.3(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8R,9S)-6-[(2-cycloheptyl-3,5-dimethyl-1,2-oxazolidin-4-yl)sulfonyl]-9-[4-(2,3-dimethylphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

Drug info:

PubChemData

Smile

CCCCCCNC(=CCC)N

DOS

IR

Vibrations