Geometry & MOs

Info

ID:	43564
PubChem CID:	10321473
Reduced:	FNO6H20C25 (1)
Stoich.:	ABC6D20E25 (1)
Weight, g/mol:	449.094451
ΔH_f, kcal/mol:	-187.96
Dipole, Da:	11.34
IP(EA), eV:	-9.02(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-2-[(Z)-1-aminoprop-1-enyl]-3-(4-fluoro-2-hydroxyphenyl)-5-oxo-4-phenoxysulfonylpent-2-enoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)COC2=CC=C(C=C2)N3C=C(C4=C3C=CC(=C4)F)C(=O)C(=O)O)OC

DOS

IR

Vibrations