Geometry & MOs

Info

ID:	241091
PubChem CID:	93621775
Reduced:	ON6C15H18 (1)
Stoich.:	AB6C15D18 (1)
Weight, g/mol:	305.105879
ΔH_f, kcal/mol:	27.19
Dipole, Da:	5.8
IP(EA), eV:	-8.97(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-3-(1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC=CC=N2)NC(=O)NC3=CN=CC=C3

DOS

IR

Vibrations