Geometry & MOs

Info

ID:	268438
PubChem CID:	103599363
Reduced:	SO3N5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	428.097683
ΔH_f, kcal/mol:	45.53
Dipole, Da:	7.32
IP(EA), eV:	-9.64(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1CCNC(=O)C=CC2=CC=C(S2)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations