Geometry & MOs

Info

ID:	297248
PubChem CID:	117614152
Reduced:	F3N3O4C28H36 (1)
Stoich.:	A3B3C4D28E36 (1)
Weight, g/mol:	467.178039
ΔH_f, kcal/mol:	-289.24
Dipole, Da:	5.78
IP(EA), eV:	-8.8(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[cyclohexyl(3,3,3-trifluoropropyl)amino]-3-(pyrimidin-5-ylcarbamoylamino)phenyl] hydrogen carbonate

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)[C@@H]2C[C@@H]2C(=O)O)NC(=O)N(C)C3=CC=C(C=C3)OCC(F)(F)F

DOS

IR

Vibrations