Geometry & MOs

Info

ID:	46239
PubChem CID:	10523462
Reduced:	N2S2O3C18H18 (1)
Stoich.:	A2B2C3D18E18 (1)
Weight, g/mol:	374.108248
ΔH_f, kcal/mol:	-26.66
Dipole, Da:	4.94
IP(EA), eV:	-9.41(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(2-acetamidoethylsulfanyl)-1,3-dimethyl-2,6-dioxopyrimidin-5-yl]sulfanylethyl]acetamide

Drug info:

PubChemData

Smile

C1COCC2=CSC(=N2)C3=CC(=CC=C3)C4=NC(=CS4)COCCO1

DOS

IR

Vibrations