Geometry & MOs

Info

ID:	434743
PubChem CID:	135175614
Reduced:	NF2S2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-53.75
Dipole, Da:	1.49
IP(EA), eV:	-8.36(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-[(Z)-1-amino-3-cyclobutyliminoprop-1-en-2-yl]benzoate

Drug info:

PubChemData

Smile

CCSC1=C(N=CC(=C1)C2=CC(=CC(=C2)F)F)SCC

DOS

IR

Vibrations