Geometry & MOs

Info

ID:	170423
PubChem CID:	75231448
Reduced:	O6C14H25 (2)
Stoich.:	A6B14C25 (2)
Weight, g/mol:	567.140878
ΔH_f, kcal/mol:	-570.6
Dipole, Da:	7.63
IP(EA), eV:	-9.85(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[3-chloro-5-[2-fluoro-6-(trifluoromethyl)anilino]pyridin-2-yl]methylcarbamoyl]oxolan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(COC1=C(C(=O)OC1C(CO)O)OC2C(C(C(C(O2)CO)O)O)O)O

DOS

IR

Vibrations