Geometry & MOs

Info

ID:	369329
PubChem CID:	127332336
Reduced:	SO2N3C13H23 (1)
Stoich.:	AB2C3D13E23 (1)
Weight, g/mol:	390.263091
ΔH_f, kcal/mol:	-106.98
Dipole, Da:	4.38
IP(EA), eV:	-8.62(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyloxan-3-yl)methyl]-3-[(2-morpholin-4-ylpyridin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)NCC(=O)N2CCCC2)C

DOS

IR

Vibrations