Geometry & MOs

Info

ID:	135992
PubChem CID:	51963576
Reduced:	FO2N4C18H29 (1)
Stoich.:	AB2C4D18E29 (1)
Weight, g/mol:	352.227454
ΔH_f, kcal/mol:	-155.52
Dipole, Da:	3.75
IP(EA), eV:	-8.41(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NC(C)(C)C)NC1=CC(=C(C=C1)N(C)C(C)C)F

DOS

IR

Vibrations