Geometry & MOs

Info

ID:	56500
PubChem CID:	17435982
Reduced:	ClSN2O3C19H21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	385.126026
ΔH_f, kcal/mol:	-102.37
Dipole, Da:	1.23
IP(EA), eV:	-8.81(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(N=C1C)SCC2=CC3=C(C(=C2)Cl)OCCCO3)C(=O)N)C

DOS

IR

Vibrations