Geometry & MOs

Info

ID:	363598
PubChem CID:	127311677
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	364.160283
ΔH_f, kcal/mol:	-85.52
Dipole, Da:	5.32
IP(EA), eV:	-9.03(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC1CNC(=O)NC2CCCC3=C2C=CC(=O)N3)C

DOS

IR

Vibrations