Geometry & MOs

Info

ID:	436923
PubChem CID:	135212956
Reduced:	SO3N4C28H40 (1)
Stoich.:	AB3C4D28E40 (1)
Weight, g/mol:	430.172642
ΔH_f, kcal/mol:	-74.02
Dipole, Da:	4.05
IP(EA), eV:	-8.79(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,8R)-9-[4-(4-fluoro-2,3-dimethylphenyl)phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]dec-3-ene-6-sulfinic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=CC=C(C=C2)[C@H]3[C@@H]4CN(CCCCN4C3COC)S(=O)(=O)C5NCCN5C)C

DOS

IR

Vibrations