Geometry & MOs

Info

ID:	378262
PubChem CID:	134224338
Reduced:	BrFNO3C19H23 (1)
Stoich.:	ABCD3E19F23 (1)
Weight, g/mol:	461.273008
ΔH_f, kcal/mol:	-94.12
Dipole, Da:	5.33
IP(EA), eV:	-8.38(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2E)-2-[2-[6-butan-2-yl-2-[(2E,4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]-3-[1-(methylamino)ethenyl]-1-benzofuran-5-yl]ethylidene]pent-3-enal

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C(OC(=C1C(=O)NC)/C(=C/C=C(\C)/F)/C)C)Br)OC

DOS

IR

Vibrations