Geometry & MOs

Info

ID:	367508
PubChem CID:	127324840
Reduced:	SO2N5C17H27 (1)
Stoich.:	AB2C5D17E27 (1)
Weight, g/mol:	338.152495
ΔH_f, kcal/mol:	-58.09
Dipole, Da:	3.33
IP(EA), eV:	-8.96(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)NCCN2CCN(CC2)C(=O)C3CCC3)C

DOS

IR

Vibrations