Geometry & MOs

Info

ID:	396990
PubChem CID:	135029553
Reduced:	SO2H20C21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	-31.12
Dipole, Da:	0.61
IP(EA), eV:	-8.88(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,2R)-4-(9-hydroxy-10-methyl-1,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-10-yl)-2-methylbut-3-enoate

Drug info:

PubChemData

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C[C@@H](CC(=O)OC1=CC2=CC=CC=C2C=C1)SCC3=CC=CC=C3

DOS

IR

Vibrations