Geometry & MOs

Info

ID:	142951
PubChem CID:	53121259
Reduced:	SN4O6C22H24 (1)
Stoich.:	AB4C6D22E24 (1)
Weight, g/mol:	427.120192
ΔH_f, kcal/mol:	-182.07
Dipole, Da:	6.16
IP(EA), eV:	-9.24(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]sulfonyl-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations