Geometry & MOs

Info

ID:	447276
PubChem CID:	135281715
Reduced:	BrFN2O4C23H32 (1)
Stoich.:	ABC2D4E23F32 (1)
Weight, g/mol:	526.142613
ΔH_f, kcal/mol:	-223.53
Dipole, Da:	2.15
IP(EA), eV:	-8.98(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxy-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(CC1C(=O)NC2=C(C=CC(=C2)C(CCC3CC3)Br)F)OC

DOS

IR

Vibrations