Geometry & MOs

Info

ID:	291516
PubChem CID:	113113308
Reduced:	FCl2O2N3C18H18 (1)
Stoich.:	AB2C2D3E18F18 (1)
Weight, g/mol:	352.106848
ΔH_f, kcal/mol:	-88.99
Dipole, Da:	6.86
IP(EA), eV:	-8.71(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[butan-2-yl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCN(CC2)C3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations