Geometry & MOs

Info

ID:	323816
PubChem CID:	126676253
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	412.216221
ΔH_f, kcal/mol:	9.86
Dipole, Da:	0.9
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-amino-N-(2,4-ditert-butyl-5-hydroxyphenyl)-2-(2-fluorobenzoyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)C1CCN(C1)CC2=CC=C(C=C2)C3=CC(=C(N=C3)N)C(=O)N

DOS

IR

Vibrations