Geometry & MOs

Info

ID:	379679
PubChem CID:	134456159
Reduced:	SF2O4N7C25H27 (1)
Stoich.:	AB2C4D7E25F27 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-127.43
Dipole, Da:	7.75
IP(EA), eV:	-8.85(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-propan-2-yl-N'-[(Z)-propylideneamino]benzenecarboximidamide

Drug info:

PubChemData

Smile

COCCCN1C=CC(=N1)C2=CC(=C(C=C2)NC3=CC(=NC4=C3NC(=N4)C(F)F)NC(=O)C5CC5)S(=O)(=O)C

DOS

IR

Vibrations