Geometry & MOs

Info

ID:	123244
PubChem CID:	50839119
Reduced:	SN3O4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	459.101955
ΔH_f, kcal/mol:	-89.35
Dipole, Da:	9.63
IP(EA), eV:	-9.29(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(ON=C1C)/C=C\C2=CC=C(C=C2)S(=O)(=O)NC3CCCC3

DOS

IR

Vibrations