Geometry & MOs

Info

ID:	135359
PubChem CID:	51859026
Reduced:	O2S3N4H18C20 (1)
Stoich.:	A2B3C4D18E20 (1)
Weight, g/mol:	470.090489
ΔH_f, kcal/mol:	54.44
Dipole, Da:	3.91
IP(EA), eV:	-8.96(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-cyanoethyl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1C#N)SC2=NN=C(S2)SCC3=CC=C(C=C3)OC

DOS

IR

Vibrations