Geometry & MOs

Info

ID:	169112
PubChem CID:	75065704
Reduced:	NO5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	286.052447
ΔH_f, kcal/mol:	-79.15
Dipole, Da:	3.99
IP(EA), eV:	-9.06(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C(C(C)CO[N+](=O)[O-])C(=O)C=CC2=CC=C(O2)C

DOS

IR

Vibrations