Geometry & MOs

Info

ID:	120920
PubChem CID:	50750822
Reduced:	ClO3N6C23H23 (1)
Stoich.:	AB3C6D23E23 (1)
Weight, g/mol:	484.142594
ΔH_f, kcal/mol:	-20.58
Dipole, Da:	7.36
IP(EA), eV:	-8.68(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-chloro-2-[(7-oxo-1-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]-3-(3-fluoro-4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NC2=C(C=CC(=C2)Cl)OCC3=CC(=O)N4C(=N3)N=CN4C(C)C

DOS

IR

Vibrations