Geometry & MOs

Info

ID:	352092
PubChem CID:	127283160
Reduced:	SO2N3C19H31 (1)
Stoich.:	AB2C3D19E31 (1)
Weight, g/mol:	390.226705
ΔH_f, kcal/mol:	-98.35
Dipole, Da:	1.52
IP(EA), eV:	-8.87(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-hydroxyoxan-4-yl)methyl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)NCC2CCCN(C2)CC3=CC=CS3)O

DOS

IR

Vibrations