Geometry & MOs

Info

ID:	442475
PubChem CID:	135252325
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	495.150429
ΔH_f, kcal/mol:	-32.11
Dipole, Da:	2.39
IP(EA), eV:	-9.57(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-[4-(6-pent-3-ynyl-1-benzofuran-2-carbonyl)phenyl]sulfanylphenyl]ethylideneamino] acetate

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)C2=NC(=CC(=C2)C)C(=O)OC

DOS

IR

Vibrations