Geometry & MOs

Info

ID:	135991
PubChem CID:	51963575
Reduced:	ClSO2N3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	352.227454
ΔH_f, kcal/mol:	-6.89
Dipole, Da:	2.45
IP(EA), eV:	-9.18(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(tert-butylcarbamoyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1NS(=O)(=O)C2=C3C=CC=NC3=C(C=C2)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations