Geometry & MOs

Info

ID:	126317
PubChem CID:	50959180
Reduced:	ON6C12H18 (1)
Stoich.:	AB6C12D18 (1)
Weight, g/mol:	321.096955
ΔH_f, kcal/mol:	26.0
Dipole, Da:	5.5
IP(EA), eV:	-9.11(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yl-N-prop-2-enylthiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CCNC2=NC=CC(=N2)OCC

DOS

IR

Vibrations