Geometry & MOs

Info

ID:	436903
PubChem CID:	135212762
Reduced:	N3O3H25C26 (1)
Stoich.:	A3B3C25D26 (1)
Weight, g/mol:	520.239579
ΔH_f, kcal/mol:	-33.56
Dipole, Da:	5.87
IP(EA), eV:	-9.29(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,10S)-10-(methoxymethyl)-9-[4-(2-methoxyphenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC=C(C=C2)C3[C@H]4CN(CC(=O)N4[C@@H]3CO)C(=O)C5=CN=CC=C5

DOS

IR

Vibrations