Geometry & MOs

Info

ID:	369403
PubChem CID:	127333137
Reduced:	SN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	374.206639
ΔH_f, kcal/mol:	-67.63
Dipole, Da:	4.51
IP(EA), eV:	-9.08(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NC(=C(S2)C(=O)N3C4CCC3CC(C4)O)C)C

DOS

IR

Vibrations