Geometry & MOs

Info

ID:	55739
PubChem CID:	17396229
Reduced:	FNSBr2O4H8C13 (1)
Stoich.:	ABCD2E4F8G13 (1)
Weight, g/mol:	361.163771
ΔH_f, kcal/mol:	-152.36
Dipole, Da:	1.85
IP(EA), eV:	-9.46(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)NS(=O)(=O)C2=C(C=CC(=C2)Br)Br)C(=O)O

DOS

IR

Vibrations