Geometry & MOs

Info

ID:	77960
PubChem CID:	49681221
Reduced:	OSN2C5H9 (2)
Stoich.:	ABC2D5E9 (2)
Weight, g/mol:	304.102768
ΔH_f, kcal/mol:	-50.92
Dipole, Da:	3.09
IP(EA), eV:	-8.77(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-3-[5-(3-methylbutylsulfanyl)-1,3,4-thiadiazol-2-yl]urea

Drug info:

PubChemData

Smile

CCC(C)SC1=NN=C(S1)NC(=O)NCCOC

DOS

IR

Vibrations