Geometry & MOs

Info

ID:	435132
PubChem CID:	135181435
Reduced:	Cl2O3N6C22H24 (1)
Stoich.:	A2B3C6D22E24 (1)
Weight, g/mol:	329.131031
ΔH_f, kcal/mol:	4.85
Dipole, Da:	6.25
IP(EA), eV:	-8.2(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[6-(dimethylamino)pyridin-3-yl]-2-formyl-3-[(3-methyl-1,3-thiazinan-2-ylidene)amino]prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1C2C=C(N=CC2=NC(=N1)C3=C(C=NN3CCOC)N)C4=C(C(=CC(=C4Cl)OC)OC)Cl

DOS

IR

Vibrations