Geometry & MOs

Info

ID:	170147
PubChem CID:	75204622
Reduced:	SN4O4C24H24 (1)
Stoich.:	AB4C4D24E24 (1)
Weight, g/mol:	410.184172
ΔH_f, kcal/mol:	13.0
Dipole, Da:	2.19
IP(EA), eV:	-8.9(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-ethylanilino)-2-oxoethyl]-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=CC(=C2)C=CC(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations