Geometry & MOs

Info

ID:	245031
PubChem CID:	99432180
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	462.172562
ΔH_f, kcal/mol:	-51.43
Dipole, Da:	4.25
IP(EA), eV:	-7.93(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[4-(oxan-4-ylamino)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)NC3CCOCC3)C

DOS

IR

Vibrations