Geometry & MOs

Info

ID:	60801
PubChem CID:	26702316
Reduced:	SO2N3H15C20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	449.195071
ΔH_f, kcal/mol:	10.3
Dipole, Da:	8.09
IP(EA), eV:	-8.45(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(S2)/C=C/C(=O)NC3=CC4=C(C=C3)NC(=O)N4

DOS

IR

Vibrations