Geometry & MOs

Info

ID:	436912
PubChem CID:	135212895
Reduced:	SO3N4C27H38 (1)
Stoich.:	AB3C4D27E38 (1)
Weight, g/mol:	526.297762
ΔH_f, kcal/mol:	-76.73
Dipole, Da:	3.61
IP(EA), eV:	-8.96(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8R,10S)-9-[4-(2,3-dimethylphenyl)phenyl]-6-(2-propan-2-ylpyrazolidin-3-yl)sulfonyl-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]3C4CN(CCCCN4C3CO)S(=O)(=O)C5NCCN5C)C

DOS

IR

Vibrations