Geometry & MOs

Info

ID:	189530
PubChem CID:	77868608
Reduced:	N2O4F5H17C20 (1)
Stoich.:	A2B4C5D17E20 (1)
Weight, g/mol:	462.170333
ΔH_f, kcal/mol:	-389.96
Dipole, Da:	9.63
IP(EA), eV:	-9.9(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-cyano-3-(fluoromethyl)phenyl]-4,7-dimethyl-1,3-dioxo-3a,5,6,7a-tetrahydro-4,7-epoxyisoindol-5-yl]-3-phenylurea

Drug info:

PubChemData

Smile

CC12CC(C(O1)(C3(C2C(=O)N(C3=O)C4=CC(=C(C=C4)C#N)C(F)(F)F)C)C)OC(F)F

DOS

IR

Vibrations