Geometry & MOs

Info

ID:	49282
PubChem CID:	11532636
Reduced:	O5C28H40 (1)
Stoich.:	A5B28C40 (1)
Weight, g/mol:	457.143784
ΔH_f, kcal/mol:	-163.19
Dipole, Da:	3.16
IP(EA), eV:	-8.73(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-fluorophenyl)ethyl]-8-methyl-6-oxo-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrano[2,3-f]benzimidazole-7-carboxamide

Drug info:

PubChemData

Smile

CCCCC/C=C\C[C@H]1C=CC(=O)C1[C@H]([C@@H]2[C@H](O2)CCCCOCC3=CC=C(C=C3)OC)O

DOS

IR

Vibrations