Geometry & MOs

Info

ID:	240581
PubChem CID:	93608331
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	322.157581
ΔH_f, kcal/mol:	-67.67
Dipole, Da:	4.03
IP(EA), eV:	-8.08(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@H]1C(=O)NC2=CN=C(C=C2)N3CCCC3

DOS

IR

Vibrations