Geometry & MOs

Info

ID:	354216
PubChem CID:	127286180
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	394.167477
ΔH_f, kcal/mol:	-64.29
Dipole, Da:	3.53
IP(EA), eV:	-8.32(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-acetylpiperidin-4-yl)methyl]-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2=NC=C(C=C2)NC(=O)N3CCN4CCCCC4C3)OC

DOS

IR

Vibrations