Geometry & MOs

Info

ID:	145865
PubChem CID:	53604605
Reduced:	ClO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	316.099397
ΔH_f, kcal/mol:	-45.42
Dipole, Da:	8.18
IP(EA), eV:	-9.15(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-methyl-N-[2-[(4-methylpyridin-2-yl)amino]-2-oxoethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCNC(=O)N1CCN(CC1)C(=O)C2=C3C(=CC(=C2)Cl)C=CC=N3

DOS

IR

Vibrations