Geometry & MOs

Info

ID:	77961
PubChem CID:	49681222
Reduced:	O2S2N4C11H20 (1)
Stoich.:	A2B2C4D11E20 (1)
Weight, g/mol:	350.087118
ΔH_f, kcal/mol:	-54.56
Dipole, Da:	3.51
IP(EA), eV:	-8.9(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-3-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]urea

Drug info:

PubChemData

Smile

CC(C)CCSC1=NN=C(S1)NC(=O)NCCOC

DOS

IR

Vibrations