Geometry & MOs

Info

ID:	77944
PubChem CID:	49681152
Reduced:	O2S2N5C12H19 (1)
Stoich.:	A2B2C5D12E19 (1)
Weight, g/mol:	320.076553
ΔH_f, kcal/mol:	-14.55
Dipole, Da:	2.23
IP(EA), eV:	-8.75(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CSC1=NN=C(S1)NC(=O)NC2CC2

DOS

IR

Vibrations