Geometry & MOs

Info

ID:	43743
PubChem CID:	10321727
Reduced:	SN4O6H18C21 (1)
Stoich.:	AB4C6D18E21 (1)
Weight, g/mol:	454.162768
ΔH_f, kcal/mol:	-53.57
Dipole, Da:	6.26
IP(EA), eV:	-8.71(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-acetyl-2-(4-acetyloxy-3-methoxyphenyl)-7-methoxy-1-benzofuran-5-yl]propyl acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations