Geometry & MOs

Info

ID:	151683
PubChem CID:	56261114
Reduced:	O2N4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	445.146013
ΔH_f, kcal/mol:	-38.12
Dipole, Da:	6.58
IP(EA), eV:	-9.0(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2=CC(=CC=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)CC(C)C)C

DOS

IR

Vibrations