Geometry & MOs

Info

ID:	424465
PubChem CID:	135122775
Reduced:	ClF3N4O5H16C19 (1)
Stoich.:	AB3C4D5E16F19 (1)
Weight, g/mol:	592.142435
ΔH_f, kcal/mol:	-254.32
Dipole, Da:	2.19
IP(EA), eV:	-8.84(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[[2-[3,5-bis(trifluoromethyl)piperidin-1-yl]-5-chloropyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide

Drug info:

PubChemData

Smile

CCOC(=O)COC1=C(C=CC=N1)OC2=C(C=C(C(=C2)N3C(=O)N(C(=N3)C)C(F)F)F)Cl

DOS

IR

Vibrations