Geometry & MOs

Info

ID:	391519
PubChem CID:	135006170
Reduced:	NO2H21C26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	297.100108
ΔH_f, kcal/mol:	21.15
Dipole, Da:	2.13
IP(EA), eV:	-8.94(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-6-nitro-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-chromen-2-ol

Drug info:

PubChemData

Smile

C1C=C([C@H]([C@]2([C@@H]1C3=CC=CC=C3)C4=CC=CC=C4NC2=O)C5=CC=CC=C5)C=O

DOS

IR

Vibrations