Geometry & MOs

Info

ID:	155394
PubChem CID:	56354942
Reduced:	SN3O5C25H33 (1)
Stoich.:	AB3C5D25E33 (1)
Weight, g/mol:	480.135508
ΔH_f, kcal/mol:	-194.09
Dipole, Da:	6.07
IP(EA), eV:	-9.51(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-benzoylphenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C)C(=O)N3CCCN(CC3)C(=O)OCC(C)C

DOS

IR

Vibrations