Geometry & MOs

Info

ID:	243829
PubChem CID:	99239911
Reduced:	BrClFO2N4C20H23 (1)
Stoich.:	ABCD2E4F20G23 (1)
Weight, g/mol:	417.04365
ΔH_f, kcal/mol:	-48.81
Dipole, Da:	6.31
IP(EA), eV:	-8.75(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopropyl-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCO1)[C@@H](CNC(=O)C2=NNC(=C2Br)C3CC3)C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations