Geometry & MOs

Info

ID:	122507
PubChem CID:	50809766
Reduced:	SO2N5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	450.036496
ΔH_f, kcal/mol:	34.81
Dipole, Da:	5.71
IP(EA), eV:	-9.21(-0.88)
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-(2,6-difluorophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CCC2=NC(=NO2)CSC3=NC4=CC=CC=C4N3)C

DOS

IR

Vibrations