Geometry & MOs

Info

ID:	446490
PubChem CID:	135275406
Reduced:	NO2C10H11 (3)
Stoich.:	AB2C10D11 (3)
Weight, g/mol:	374.164185
ΔH_f, kcal/mol:	-178.3
Dipole, Da:	5.02
IP(EA), eV:	-8.52(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-anilino-3-(3-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC2=C3C=CN(C3=NC=C2)CC4=CC=C(C=C4)OC)C(=O)OC

DOS

IR

Vibrations