Geometry & MOs

Info

ID:	64933
PubChem CID:	29204218
Reduced:	ClON4C17H21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	378.115047
ΔH_f, kcal/mol:	11.01
Dipole, Da:	5.12
IP(EA), eV:	-9.31(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1/C=C/C(=O)NCC2=CN=CC=C2)Cl)CC(C)C

DOS

IR

Vibrations