Geometry & MOs

Info

ID:	60112
PubChem CID:	26675697
Reduced:	ClFNO3H13C18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	373.166251
ΔH_f, kcal/mol:	-85.78
Dipole, Da:	5.56
IP(EA), eV:	-9.38(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1)Cl)OCC2=NC=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations