Geometry & MOs

Info

ID:	44807
PubChem CID:	10506011
Reduced:	ClO4N5H22C27 (1)
Stoich.:	AB4C5D22E27 (1)
Weight, g/mol:	516.126776
ΔH_f, kcal/mol:	52.52
Dipole, Da:	5.24
IP(EA), eV:	-8.95(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,6-diacetyloxy-5,7,8-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)CCl)C3=CC=C(C=C3)C(=O)NCC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations