Geometry & MOs

Info

ID:	334448
PubChem CID:	127253000
Reduced:	N3O6C22H25 (1)
Stoich.:	A3B6C22D25 (1)
Weight, g/mol:	483.152931
ΔH_f, kcal/mol:	-195.19
Dipole, Da:	3.34
IP(EA), eV:	-8.32(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2E)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-1-benzofuran-7-yl]-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)C[C@H]2C(=O)N(C(=O)N2)CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations