Geometry & MOs

Info

ID:	189176
PubChem CID:	77824987
Reduced:	ON3H11C12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	539.209007
ΔH_f, kcal/mol:	74.27
Dipole, Da:	9.17
IP(EA), eV:	-8.66(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dihydrothiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxo-4-[3-oxo-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]butanamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C2NC3=CC(C=CC3=N2)C(=N)N)C(=O)C(=C1)C4=C(C=CC(=C4)C#N)O)N

DOS

IR

Vibrations