Geometry & MOs

Info

ID:	122508
PubChem CID:	50809800
Reduced:	ClSF2O3N4H13C19 (1)
Stoich.:	ABC2D3E4F13G19 (1)
Weight, g/mol:	450.036496
ΔH_f, kcal/mol:	-76.53
Dipole, Da:	1.92
IP(EA), eV:	-9.27(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(5-chloro-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(3,5-difluorophenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)NC(=O)CCC2=NC(=NO2)CSC3=NC4=C(O3)C=CC(=C4)Cl)F

DOS

IR

Vibrations