Geometry & MOs

Info

ID:	155805
PubChem CID:	56367631
Reduced:	ClSF2O3N4H11C17 (1)
Stoich.:	ABC2D3E4F11G17 (1)
Weight, g/mol:	293.045269
ΔH_f, kcal/mol:	-57.62
Dipole, Da:	2.06
IP(EA), eV:	-9.42(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-2-methylbutanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)SC(F)F)NC(=O)C2=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations