Geometry & MOs

Info

ID:	66926
PubChem CID:	46505532
Reduced:	BrFSO2N5C26H31 (1)
Stoich.:	ABCD2E5F26G31 (1)
Weight, g/mol:	525.240976
ΔH_f, kcal/mol:	-66.55
Dipole, Da:	3.95
IP(EA), eV:	-8.27(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCCN2C(C(=O)N(C2=S)C3=CC=C(C=C3)F)CC(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations