Geometry & MOs

Info

ID:	334358
PubChem CID:	127252910
Reduced:	N4O5C22H26 (1)
Stoich.:	A4B5C22D26 (1)
Weight, g/mol:	507.152931
ΔH_f, kcal/mol:	-99.24
Dipole, Da:	12.63
IP(EA), eV:	-8.95(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCC1(CC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=C(C(=O)N4C3)[N+](=O)[O-])N5C=CC=C5

DOS

IR

Vibrations