Geometry & MOs

Info

ID:	427200
PubChem CID:	135156087
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	488.128504
ΔH_f, kcal/mol:	-68.36
Dipole, Da:	1.96
IP(EA), eV:	-9.71(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(C=N1)C2OCCO2)Br

DOS

IR

Vibrations