Geometry & MOs

Info

ID:	132264
PubChem CID:	51331743
Reduced:	FSO2N5H16C19 (1)
Stoich.:	ABC2D5E16F19 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	44.07
Dipole, Da:	6.99
IP(EA), eV:	-9.05(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NN=CN3C4=CC=CC=C4OC)F

DOS

IR

Vibrations