Geometry & MOs

Info

ID:	376690
PubChem CID:	134222713
Reduced:	N3C11H15 (1)
Stoich.:	A3B11C15 (1)
Weight, g/mol:	566.185156
ΔH_f, kcal/mol:	68.92
Dipole, Da:	4.28
IP(EA), eV:	-8.54(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[1,1,1,3,3,3-hexafluoro-2-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propan-2-yl]-6-hydroxyphenyl]carbamate

Drug info:

PubChemData

Smile

CC1=NC2=CNN(C2=C1)C3CCCC3

DOS

IR

Vibrations