Geometry & MOs

Info

ID:	89874
PubChem CID:	49965125
Reduced:	ION4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	208.041882
ΔH_f, kcal/mol:	90.34
Dipole, Da:	6.02
IP(EA), eV:	-9.56(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-[(3-methyl-1,2-oxazol-5-yl)amino]prop-2-enethioamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)NN1)C(C2=CC=CC=C2I)C(C#N)C#N

DOS

IR

Vibrations