Geometry & MOs

Info

ID:	359573
PubChem CID:	127298847
Reduced:	SO3N4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	335.166748
ΔH_f, kcal/mol:	-8.71
Dipole, Da:	4.6
IP(EA), eV:	-8.75(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-1-methyl-3-[3-oxo-3-(1,4-thiazepan-4-yl)propyl]urea

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)N4CCCC4C5=CSC=C5

DOS

IR

Vibrations