Geometry & MOs

Info

ID:	82798
PubChem CID:	49856550
Reduced:	BrO2N4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	526.199153
ΔH_f, kcal/mol:	8.34
Dipole, Da:	7.88
IP(EA), eV:	-9.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9R,10R)-2-ethyl-8,8-dimethyl-4-oxo-9-(2-phenylacetyl)oxy-9,10-dihydropyrano[2,3-f]chromen-10-yl] 2-phenylacetate

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NCC3=CC=C(C=C3)Br)CN1C4=NC=C(C=N4)C(=O)O

DOS

IR

Vibrations