Geometry & MOs

Info

ID:	66983
PubChem CID:	46505640
Reduced:	ClFSO2N5C26H31 (1)
Stoich.:	ABCD2E5F26G31 (1)
Weight, g/mol:	552.240641
ΔH_f, kcal/mol:	-82.73
Dipole, Da:	5.7
IP(EA), eV:	-8.27(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[1-(4-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCN1C(=O)C(N(C1=S)CCCN2CCN(CC2)C3=CC=C(C=C3)F)CC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations