Geometry & MOs

Info

ID:	77962
PubChem CID:	49681223
Reduced:	O2S2N4C15H18 (1)
Stoich.:	A2B2C4D15E18 (1)
Weight, g/mol:	274.055818
ΔH_f, kcal/mol:	5.14
Dipole, Da:	3.68
IP(EA), eV:	-8.93(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

COCCNC(=O)NC1=NN=C(S1)SC/C=C/C2=CC=CC=C2

DOS

IR

Vibrations