Geometry & MOs

Info

ID:	141523
PubChem CID:	52888681
Reduced:	N2O2S3C13H14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	416.068691
ΔH_f, kcal/mol:	-0.1
Dipole, Da:	5.04
IP(EA), eV:	-8.71(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylbutan-1-one

Drug info:

PubChemData

Smile

CC(=O)CSC1=NN=C(S1)SCC2=CC=C(C=C2)OC

DOS

IR

Vibrations