Geometry & MOs

Info

ID:	354852
PubChem CID:	127287612
Reduced:	SN4O4C18H30 (1)
Stoich.:	AB4C4D18E30 (1)
Weight, g/mol:	284.148455
ΔH_f, kcal/mol:	-147.48
Dipole, Da:	4.01
IP(EA), eV:	-9.41(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dioxan-2-ylmethyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C(C)(C)NCC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations