Geometry & MOs

Info

ID:	436669
PubChem CID:	135207316
Reduced:	FNSO2C17H26 (1)
Stoich.:	ABCD2E17F26 (1)
Weight, g/mol:	416.194737
ΔH_f, kcal/mol:	-104.9
Dipole, Da:	5.32
IP(EA), eV:	-8.36(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(3-methoxyanilino)methylidene]propanedioate;3-methoxyaniline

Drug info:

PubChemData

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CC[C@H](C1=CC(=C(C=C1)F)OCC2CC2)N[S@@](=O)C(C)(C)C

DOS

IR

Vibrations