Geometry & MOs

Info

ID:	181221
PubChem CID:	76717395
Reduced:	NSF5O6C14H14 (1)
Stoich.:	ABC5D6E14F14 (1)
Weight, g/mol:	524.064522
ΔH_f, kcal/mol:	-462.85
Dipole, Da:	8.76
IP(EA), eV:	-10.03(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-oxo-4-(2-oxo-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-5-yl)butan-2-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC(C1C(=O)N(CCO1)C2=CC=C(C=C2)S(F)(F)(F)(F)F)C(=O)O

DOS

IR

Vibrations