Geometry & MOs

Info

ID:	378843
PubChem CID:	134224944
Reduced:	PN4C6H11 (1)
Stoich.:	AB4C6D11 (1)
Weight, g/mol:	496.218507
ΔH_f, kcal/mol:	11.46
Dipole, Da:	1.48
IP(EA), eV:	-9.51(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC(=N1)NPC)C

DOS

IR

Vibrations