Geometry & MOs

Info

ID:	162606
PubChem CID:	57410694
Reduced:	FSO2N6C28H31 (1)
Stoich.:	ABC2D6E28F31 (1)
Weight, g/mol:	313.108086
ΔH_f, kcal/mol:	-1.77
Dipole, Da:	4.35
IP(EA), eV:	-8.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5S)-4-(2-chloroethyl)-1-[(S)-cyclohex-2-en-1-yl(hydroxy)methyl]-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

Drug info:

PubChemData

Smile

C1CC12CN(CCN2S(=O)(=O)N(CCC3=CC=CC=C3)CCC4=CC(=CC=C4)F)C5=NC=NC6=C5C=CN6

DOS

IR

Vibrations