Geometry & MOs

Info

ID:	77964
PubChem CID:	49681225
Reduced:	S2O3N5C13H21 (1)
Stoich.:	A2B3C5D13E21 (1)
Weight, g/mol:	407.108582
ΔH_f, kcal/mol:	-81.12
Dipole, Da:	4.79
IP(EA), eV:	-9.14(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-(2-methoxyethyl)urea

Drug info:

PubChemData

Smile

COCCNC(=O)NC1=NN=C(S1)SCC(=O)N2CCCCC2

DOS

IR

Vibrations