Geometry & MOs

Info

ID:	61836
PubChem CID:	26713720
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	342.140199
ΔH_f, kcal/mol:	-53.7
Dipole, Da:	6.32
IP(EA), eV:	-8.96(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-methylthiophen-2-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C

DOS

IR

Vibrations