Geometry & MOs

Info

ID:	77966
PubChem CID:	49681240
Reduced:	S2O3N5C16H21 (1)
Stoich.:	A2B3C5D16E21 (1)
Weight, g/mol:	352.102768
ΔH_f, kcal/mol:	-63.96
Dipole, Da:	10.68
IP(EA), eV:	-8.52(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)NCCOC

DOS

IR

Vibrations