Geometry & MOs

Info

ID:	354263
PubChem CID:	127286227
Reduced:	SO2N4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	392.224597
ΔH_f, kcal/mol:	-81.05
Dipole, Da:	3.0
IP(EA), eV:	-8.15(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-(2-methyl-4-thiomorpholin-4-ylphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCSCC2)NC(=O)NC(C)C(C)N3CCOCC3

DOS

IR

Vibrations