Geometry & MOs

Info

ID:	49940
PubChem CID:	11538267
Reduced:	SO2N6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	386.209324
ΔH_f, kcal/mol:	37.67
Dipole, Da:	7.06
IP(EA), eV:	-8.69(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (3S,4R)-3-[(E)-but-1-enyl]-4-[(2R)-1-hydroxy-1-phenylbut-3-en-2-yl]cyclopentane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CN(CCCNCC1=CC2=C(C=C1)OCCO2)C3=NC(=NS3)N4C=CN=C4

DOS

IR

Vibrations