Geometry & MOs

Info

ID:	48672
PubChem CID:	11110425
Reduced:	O2C10H15 (2)
Stoich.:	A2B10C15 (2)
Weight, g/mol:	335.115758
ΔH_f, kcal/mol:	-175.84
Dipole, Da:	1.78
IP(EA), eV:	-9.39(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,2S)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-4-phenylbut-3-enoate

Drug info:

PubChemData

Smile

CC1(O[C@@H]([C@H](O1)[C@](C)(CCCC=C)O)COCC2=CC=CC=C2)C

DOS

IR

Vibrations