Geometry & MOs

Info

ID:	229410
PubChem CID:	87567573
Reduced:	FSN3O3C22H24 (1)
Stoich.:	ABC3D3E22F24 (1)
Weight, g/mol:	308.148455
ΔH_f, kcal/mol:	-75.52
Dipole, Da:	3.07
IP(EA), eV:	-8.71(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(diaminomethylideneamino)-2-[[(1Z)-1-(3-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=CN(C=N4)CC(=O)O)/C3)S

DOS

IR

Vibrations