Geometry & MOs

Info

ID:	77968
PubChem CID:	49681267
Reduced:	O2S2N4C17H18 (1)
Stoich.:	A2B2C4D17E18 (1)
Weight, g/mol:	362.071862
ΔH_f, kcal/mol:	10.84
Dipole, Da:	2.81
IP(EA), eV:	-8.82(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[5-(2-methoxyethylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxobutanoate

Drug info:

PubChemData

Smile

COCCNC(=O)NC1=NN=C(S1)SCC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations