Geometry & MOs

Info

ID:	195021
PubChem CID:	78622090
Reduced:	NSO5C22H25 (1)
Stoich.:	ABC5D22E25 (1)
Weight, g/mol:	417.189986
ΔH_f, kcal/mol:	-185.5
Dipole, Da:	4.23
IP(EA), eV:	-9.23(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC(CC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations