Geometry & MOs

Info

ID:	135358
PubChem CID:	51858791
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	442.059189
ΔH_f, kcal/mol:	-14.03
Dipole, Da:	8.54
IP(EA), eV:	-9.21(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-cyanophenyl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NC4CC4)C#N

DOS

IR

Vibrations