Geometry & MOs

Info

ID:	369346
PubChem CID:	127332374
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	388.272593
ΔH_f, kcal/mol:	-156.89
Dipole, Da:	5.28
IP(EA), eV:	-8.93(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyloxan-3-yl)methyl]-3-[(2-phenyloxan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)NC(=O)NCC2=CC=CC=C2OC3CCC3

DOS

IR

Vibrations