Geometry & MOs

Info

ID:	25968
PubChem CID:	634979
Reduced:	ClFSN2O3H18C22 (1)
Stoich.:	ABCD2E3F18G22 (1)
Weight, g/mol:	446.157682
ΔH_f, kcal/mol:	-59.16
Dipole, Da:	2.08
IP(EA), eV:	-8.34(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-acetyloxy-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=C(SC=C2)COC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)C)C

DOS

IR

Vibrations