Geometry & MOs

Info

ID:	395550
PubChem CID:	135025781
Reduced:	ClNH2F3C6 (2)
Stoich.:	ABC2D3E6 (2)
Weight, g/mol:	444.226037
ΔH_f, kcal/mol:	-265.85
Dipole, Da:	4.55
IP(EA), eV:	-10.72(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(4-amino-2-hydroxy-3-propan-2-yloxybenzoyl)amino]-3-propan-2-yloxybenzoate

Drug info:

PubChemData

Smile

C1=CN=C(C(=C1C2=C(C(=NC=C2)Cl)C(F)(F)F)C(F)(F)F)Cl

DOS

IR

Vibrations