Geometry & MOs

Info

ID:	177954
PubChem CID:	76257983
Reduced:	SO3N4C25H28 (1)
Stoich.:	AB3C4D25E28 (1)
Weight, g/mol:	406.146347
ΔH_f, kcal/mol:	-42.34
Dipole, Da:	4.16
IP(EA), eV:	-8.53(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-1,3-thiazol-4-yl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)CCCCCN3C(=O)C4C=CC=CC4=NC3=S

DOS

IR

Vibrations