Geometry & MOs

Info

ID:	337764
PubChem CID:	127258387
Reduced:	SN3O4C8H15 (1)
Stoich.:	AB3C4D8E15 (1)
Weight, g/mol:	264.099774
ΔH_f, kcal/mol:	-165.13
Dipole, Da:	3.26
IP(EA), eV:	-9.51(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[1-(2-methoxy-4-methylphenyl)ethylidene]butanedioic acid

Drug info:

PubChemData

Smile

C(CN=C(N)N)CSC(CC(=O)O)C(=O)O

DOS

IR

Vibrations