Geometry & MOs

Info

ID:	138674
PubChem CID:	52405590
Reduced:	O2S2N3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	271.138385
ΔH_f, kcal/mol:	12.43
Dipole, Da:	6.08
IP(EA), eV:	-8.78(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CCN(CC3)CCC4=CC=CS4

DOS

IR

Vibrations