Geometry & MOs

Info

ID:	43902
PubChem CID:	10321956
Reduced:	SeO3C25H32 (1)
Stoich.:	AB3C25D32 (1)
Weight, g/mol:	459.168188
ΔH_f, kcal/mol:	-84.02
Dipole, Da:	4.99
IP(EA), eV:	-8.52(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl (2S)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butanedioate

Drug info:

PubChemData

Smile

CC(C)[C@H]1CC[C@]2([C@@H]1[C@H]3C=CCCC4([C@H]3CC2=O)OCCO4)[Se]C5=CC=CC=C5

DOS

IR

Vibrations