Geometry & MOs

Info

ID:	237201
PubChem CID:	92717884
Reduced:	ClSN3O4H18C24 (1)
Stoich.:	ABC3D4E18F24 (1)
Weight, g/mol:	455.151492
ΔH_f, kcal/mol:	-26.35
Dipole, Da:	1.76
IP(EA), eV:	-9.05(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC(=O)N[C@H](C4=CC=CC=C4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations