Geometry & MOs

Info

ID:	346762
PubChem CID:	127271266
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	360.183127
ΔH_f, kcal/mol:	-167.86
Dipole, Da:	2.35
IP(EA), eV:	-8.74(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]urea

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C(C)NC(=O)NCC(C)(C)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations