Geometry & MOs

Info

ID:	310506
PubChem CID:	126581133
Reduced:	BrS2O4H25C27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	317.106336
ΔH_f, kcal/mol:	-63.71
Dipole, Da:	2.39
IP(EA), eV:	-8.63(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethoxy-11-(2-fluoro-5-methoxyphenyl)-2,10-dioxa-9-azatricyclo[6.3.0.03,6]undeca-1(11),6,8-triene

Drug info:

PubChemData

Smile

COC1=CC(=C2C=CSC2=C1)C3=C(C(=CS3)COC4=CC=CC(=C4)C(CC(=O)OC)C5CC5)Br

DOS

IR

Vibrations