Geometry & MOs

Info

ID:	55585
PubChem CID:	17395599
Reduced:	ON4C28H30 (1)
Stoich.:	AB4C28D30 (1)
Weight, g/mol:	458.21001
ΔH_f, kcal/mol:	77.8
Dipole, Da:	4.71
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN=C(O2)C(C)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations