Geometry & MOs

Info

ID:	166016
PubChem CID:	74626427
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	455.16925
ΔH_f, kcal/mol:	-94.32
Dipole, Da:	7.85
IP(EA), eV:	-8.59(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-(2,5-dioxoimidazolidin-4-yl)propanoate

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)C2=CC=CC(=C2)NC(=O)C=CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations