Geometry & MOs

Info

ID:	133472
PubChem CID:	51531877
Reduced:	O2F3N8H15C20 (1)
Stoich.:	A2B3C8D15E20 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-20.88
Dipole, Da:	11.51
IP(EA), eV:	-9.28(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@H]2CC(=NC3=NC(=NN23)C(F)(F)F)C4=CC(=CC=C4)N5C=NN=N5)O

DOS

IR

Vibrations