Geometry & MOs

Info

ID:	169531
PubChem CID:	75117633
Reduced:	N2O3H18C20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	402.193691
ΔH_f, kcal/mol:	-15.42
Dipole, Da:	6.23
IP(EA), eV:	-9.04(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-acetylpiperazin-1-yl)-3-methyl-1-oxopentan-2-yl]-3-(1,1-dioxothiolan-3-yl)urea

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC(=O)C2=C3C=CC=CC3=NC(=O)C2=C

DOS

IR

Vibrations