Geometry & MOs

Info

ID:	326245
PubChem CID:	126687225
Reduced:	OSN4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	369.270402
ΔH_f, kcal/mol:	48.67
Dipole, Da:	1.54
IP(EA), eV:	-8.58(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-[(Z)-[(E)-2-fluorobut-2-enylidene]amino]ethyl]-3-[(Z)-[(Z)-2-fluoro-3-(hexan-3-ylamino)but-2-enylidene]amino]prop-1-ene-1,3-diamine

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CC1(CC3=CC=CC=C3)O)CSC4=CC5=NNN=C5C=C4

DOS

IR

Vibrations