Geometry & MOs

Info

ID:	395351
PubChem CID:	135025235
Reduced:	FNSO3H22C23 (1)
Stoich.:	ABCD3E22F23 (1)
Weight, g/mol:	576.302831
ΔH_f, kcal/mol:	-112.38
Dipole, Da:	3.39
IP(EA), eV:	-8.79(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-ethoxy-1-(4-ethoxyphenyl)-3-pent-4-en-1-ynyl-2-[(1E)-1-phenylpenta-1,4-dien-2-yl]indene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@](C)(CS(=O)(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations