Geometry & MOs

Info

ID:	368354
PubChem CID:	127328024
Reduced:	OSN6C17H26 (1)
Stoich.:	ABC6D17E26 (1)
Weight, g/mol:	298.146347
ΔH_f, kcal/mol:	11.46
Dipole, Da:	6.06
IP(EA), eV:	-8.96(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)NC3=NC(=NS3)C(C)(C)C

DOS

IR

Vibrations