Geometry & MOs

Info

ID:	123242
PubChem CID:	50839117
Reduced:	O2N3S3C19H29 (1)
Stoich.:	A2B3C3D19E29 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-41.4
Dipole, Da:	5.75
IP(EA), eV:	-8.79(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(Z)-2-[4-(cyclohexylsulfamoyl)phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)C2=CSC(=C2)S(=O)(=O)NCCN3CCCCCC3

DOS

IR

Vibrations