Geometry & MOs

Info

ID:	423999
PubChem CID:	135121008
Reduced:	O5N6C25H28 (1)
Stoich.:	A5B6C25D28 (1)
Weight, g/mol:	464.126276
ΔH_f, kcal/mol:	-154.97
Dipole, Da:	4.05
IP(EA), eV:	-9.44(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(4-chlorophenyl)methyl]-4-(3-fluoro-4-propan-2-yloxyanilino)-6-oxo-1,2-dihydro-1,3,5-triazin-2-yl]oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=NC(=O)N(C2=O)CCC(=O)OC)NC3CC(CNC3=O)C4=CC=NC=C4

DOS

IR

Vibrations