Geometry & MOs

Info

ID:	347320
PubChem CID:	127272159
Reduced:	ON4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	341.152161
ΔH_f, kcal/mol:	-40.64
Dipole, Da:	6.16
IP(EA), eV:	-8.9(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylpyrimidin-5-yl)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C(C=N1)NC(=O)N2CC3CC4CC(C3)CC2C4

DOS

IR

Vibrations