Geometry & MOs

Info

ID:	363584
PubChem CID:	127311663
Reduced:	SO2N4C15H22 (1)
Stoich.:	AB2C4D15E22 (1)
Weight, g/mol:	300.161997
ΔH_f, kcal/mol:	-4.2
Dipole, Da:	2.51
IP(EA), eV:	-8.84(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-oxoazepan-3-yl)-3-(2-thiomorpholin-4-ylethyl)urea

Drug info:

PubChemData

Smile

CC(C1=NN=C(O1)C2=CC=CS2)N(C)CCN3CCOCC3

DOS

IR

Vibrations