Geometry & MOs

Info

ID:	13834
PubChem CID:	399288
Reduced:	OSN2C7H8 (2)
Stoich.:	ABC2D7E8 (2)
Weight, g/mol:	336.071468
ΔH_f, kcal/mol:	15.59
Dipole, Da:	2.16
IP(EA), eV:	-8.64(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-2-yl] N,N-dimethylcarbamodithioate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NN=C(O1)C2=CC=CC=C2)SC(=S)N(C)C

DOS

IR

Vibrations