Geometry & MOs

Info

ID:	448503
PubChem CID:	135291395
Reduced:	F3C26H35 (1)
Stoich.:	A3B26C35 (1)
Weight, g/mol:	432.065904
ΔH_f, kcal/mol:	-191.27
Dipole, Da:	4.18
IP(EA), eV:	-8.84(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)(C)C)C(C)CCC(C)(C)C2=CC(=C(C=C2)C(F)(F)F)C

DOS

IR

Vibrations