Geometry & MOs

Info

ID:	64502
PubChem CID:	29201816
Reduced:	S2N4O4H14C19 (1)
Stoich.:	A2B4C4D14E19 (1)
Weight, g/mol:	465.059918
ΔH_f, kcal/mol:	-25.0
Dipole, Da:	3.84
IP(EA), eV:	-8.65(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)NC(=N3)CSC4=NN=C(O4)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations