Geometry & MOs

Info

ID:	60042
PubChem CID:	26666677
Reduced:	SN3O3C17H17 (1)
Stoich.:	AB3C3D17E17 (1)
Weight, g/mol:	467.070655
ΔH_f, kcal/mol:	-51.5
Dipole, Da:	3.31
IP(EA), eV:	-8.83(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)NN2C=NC3=C(C2=O)C(=C(S3)C)C

DOS

IR

Vibrations