Geometry & MOs

Info

ID:	60113
PubChem CID:	26675698
Reduced:	FO2N7C17H20 (1)
Stoich.:	AB2C7D17E20 (1)
Weight, g/mol:	373.166251
ΔH_f, kcal/mol:	-73.54
Dipole, Da:	2.09
IP(EA), eV:	-9.95(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-butyl-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCC[C@@]1(C(=O)N(C(=O)N1)CC2=NC(=NC(=N2)N)N)C3=CC=C(C=C3)F

DOS

IR

Vibrations