Geometry & MOs

Info

ID:	186345
PubChem CID:	77423405
Reduced:	O3N5C12H15 (1)
Stoich.:	A3B5C12D15 (1)
Weight, g/mol:	440.123619
ΔH_f, kcal/mol:	-83.58
Dipole, Da:	3.09
IP(EA), eV:	-8.94(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methyl-2-(3-phosphonoprop-1-enyl)hex-4-enoic acid

Drug info:

PubChemData

Smile

CC1CC(OC1N2C=NC3=C(N=CN=C32)N)OC(=O)C

DOS

IR

Vibrations