Geometry & MOs

Info

ID:	48418
PubChem CID:	10546381
Reduced:	FNSO3H18C19 (1)
Stoich.:	ABCD3E18F19 (1)
Weight, g/mol:	364.152203
ΔH_f, kcal/mol:	-120.14
Dipole, Da:	8.63
IP(EA), eV:	-8.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4Z,6R)-4-(2-methoxy-2-oxoethylidene)-6-[(4-methoxyphenyl)methoxymethyl]oxane-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(CC(S2)C(=O)O)C3=C(C=C(C=C3)F)C

DOS

IR

Vibrations