Geometry & MOs

Info

ID:	214486
PubChem CID:	85083114
Reduced:	NCl2O7C26H31 (1)
Stoich.:	AB2C7D26E31 (1)
Weight, g/mol:	546.225368
ΔH_f, kcal/mol:	-305.56
Dipole, Da:	3.92
IP(EA), eV:	-8.78(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-oxo-7-[2-[(4-oxo-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-7-yl)oxy]ethoxy]-8-propylchromene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)COC(=O)OC(=O)C(CC1=CC=C(C=C1)OCC2=C(C=CC=C2Cl)Cl)NC(=O)OC(C)(C)C

DOS

IR

Vibrations