Geometry & MOs

Info

ID:	427183
PubChem CID:	135155955
Reduced:	OF3N9H14C23 (1)
Stoich.:	AB3C9D14E23 (1)
Weight, g/mol:	413.115775
ΔH_f, kcal/mol:	25.3
Dipole, Da:	13.86
IP(EA), eV:	-9.34(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[(3R)-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-3-(6-methylpyridin-3-yl)urea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN=C2N)N3C=CC(=C3C(F)(F)F)C(=O)NC4=CC(=C(N=C4)N5N=CC=N5)C#N

DOS

IR

Vibrations