Geometry & MOs

Info

ID:	49958
PubChem CID:	11538377
Reduced:	SN3O3H17C21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	44.54
Dipole, Da:	2.47
IP(EA), eV:	-9.14(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-2-cyano-N-[(2,3-dimethoxyphenyl)methyl]-5-[4-(dimethylamino)phenyl]penta-2,4-dienamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=N2)C(=O)NCCC#CC3=CC=C(C=C3)C(=O)NO

DOS

IR

Vibrations