Geometry & MOs

Info

ID:	404767
PubChem CID:	135070659
Reduced:	N2O11C23H34 (1)
Stoich.:	A2B11C23D34 (1)
Weight, g/mol:	236.01433
ΔH_f, kcal/mol:	-508.43
Dipole, Da:	7.28
IP(EA), eV:	-9.66(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

(Z)-2-benzylsulfanylbut-2-enedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]2[C@@H](C[C@](OC2C(C(CO)O)O)(C(=O)O)O)O

DOS

IR

Vibrations