Geometry & MOs

Info

ID:	135416
PubChem CID:	51868918
Reduced:	S2N3O3C23H34 (1)
Stoich.:	A2B3C3D23E34 (1)
Weight, g/mol:	464.242356
ΔH_f, kcal/mol:	-92.65
Dipole, Da:	4.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.112937
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

Drug info:

PubChemData

Smile

CC[NH+](CC)[C@@H](CNC(=O)CC1=CC=C(S1)S(=O)(=O)N2CCCCC2)C3=CC=CC=C3

DOS

IR

Vibrations