Geometry & MOs

Info

ID:	187180
PubChem CID:	77540560
Reduced:	F2N3O4C28H35 (1)
Stoich.:	A2B3C4D28E35 (1)
Weight, g/mol:	393.089162
ΔH_f, kcal/mol:	-245.26
Dipole, Da:	5.21
IP(EA), eV:	-7.99(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)methyl]-2-[4-fluoro-2-(hydroxymethyl)phenyl]-6-methoxy-1,2,4-triazinane-3,5-dione

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNC2CC3(CCC3)OC4=C2C=C(C=C4)NC5CCOC5)O

DOS

IR

Vibrations