Geometry & MOs

Info

ID:	394889
PubChem CID:	135024040
Reduced:	NO4C23H27 (1)
Stoich.:	AB4C23D27 (1)
Weight, g/mol:	439.127586
ΔH_f, kcal/mol:	-123.53
Dipole, Da:	7.83
IP(EA), eV:	-8.95(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,3S,4S)-5-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methyl-5-oxo-1-phenylpent-1-en-3-yl] acetate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)OCCCN3CCCCC3

DOS

IR

Vibrations