Geometry & MOs

Info

ID:	437071
PubChem CID:	135214453
Reduced:	SO2F3N7H22C26 (1)
Stoich.:	AB2C3D7E22F26 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-46.93
Dipole, Da:	5.38
IP(EA), eV:	-8.89(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]amino]-4-ethoxycyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C=C1C(N=C(C2=C(N1)SC=C2)C3=CC=CC=C3)NC4=NN=C(O4)C5=C(C=C(C=N5)C(F)(F)F)N6CCOCC6

DOS

IR

Vibrations