Geometry & MOs

Info

ID:	166052
PubChem CID:	74630496
Reduced:	FOSN5C22H23 (1)
Stoich.:	ABCD5E22F23 (1)
Weight, g/mol:	415.09687
ΔH_f, kcal/mol:	84.02
Dipole, Da:	18.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.818865
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-methylpropanamide

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)C1=C(N(N=C1)C2=CC=CC=C2F)N3C=CC=C3)C4=CSC=C4

DOS

IR

Vibrations