Geometry & MOs

Info

ID:	77967
PubChem CID:	49681265
Reduced:	O2S2N4C15H20 (1)
Stoich.:	A2B2C4D15E20 (1)
Weight, g/mol:	374.087118
ΔH_f, kcal/mol:	-27.68
Dipole, Da:	6.96
IP(EA), eV:	-8.36(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CSC2=NN=C(S2)NC(=O)NCCOC

DOS

IR

Vibrations