Geometry & MOs

Info

ID:	37006
PubChem CID:	8016063
Reduced:	NO7C22H24 (1)
Stoich.:	AB7C22D24 (1)
Weight, g/mol:	371.136887
ΔH_f, kcal/mol:	-256.0
Dipole, Da:	6.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.051447
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)[O-])NC(=O)COC1=C2C3=C(CCC3)C(=O)OC2=C4CCC(OC4=C1)(C)C

DOS

IR

Vibrations