Geometry & MOs

Info

ID:	135490
PubChem CID:	51879475
Reduced:	OSN6C26H31 (1)
Stoich.:	ABC6D26E31 (1)
Weight, g/mol:	477.049441
ΔH_f, kcal/mol:	95.27
Dipole, Da:	7.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.827394
Charge, e:	0

Chem-info

IUPAC name:

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)CC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)N(CCC#N)C4=CC=CC=C4

DOS

IR

Vibrations