Geometry & MOs

Info

ID:	144564
PubChem CID:	53386471
Reduced:	O4C27H32 (1)
Stoich.:	A4B27C32 (1)
Weight, g/mol:	412.071366
ΔH_f, kcal/mol:	-141.23
Dipole, Da:	8.89
IP(EA), eV:	-9.0(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-(4-chlorophenyl)-2-hydroxy-5,10-dioxo-3,4-dihydrobenzo[g]chromene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC[C@H]2[C@]([C@]13CC4=C(O3)C(=C(OC4=O)C)C)(CC[C@@H]5[C@@]2(C=CC(=O)C=C5C)C)C

DOS

IR

Vibrations