Geometry & MOs

Info

ID:	324190
PubChem CID:	126677102
Reduced:	ClFNO3H15C17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	394.168814
ΔH_f, kcal/mol:	-144.18
Dipole, Da:	6.35
IP(EA), eV:	-9.1(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-3-amino-2-[[3-(1,3-thiazol-2-yl)phenyl]methyliminomethyl]prop-2-enyl]-6-hydrazinylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)CN3CCOC3=O)F)O

DOS

IR

Vibrations