Geometry & MOs

Info

ID:	334220
PubChem CID:	127252772
Reduced:	N3O5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	455.158017
ΔH_f, kcal/mol:	-78.42
Dipole, Da:	6.26
IP(EA), eV:	-7.87(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-hydroxy-3-methoxyphenyl)-3-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-1-benzofuran-7-yl]propanoate

Drug info:

PubChemData

Smile

CC1=C(N=C(N1O)C2=CC3=C(C=CC(=C3)OC)NC2=O)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations