Geometry & MOs

Info

ID:	302214
PubChem CID:	124360351
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	321.096955
ΔH_f, kcal/mol:	-139.44
Dipole, Da:	13.5
IP(EA), eV:	-8.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-3-methylsulfanyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2OC)C)C(=O)N[C@H](CCSC)C(=O)O

DOS

IR

Vibrations