Geometry & MOs

Info

ID:	186558
PubChem CID:	77445354
Reduced:	ClFO4C33H36 (1)
Stoich.:	ABC4D33E36 (1)
Weight, g/mol:	433.20755
ΔH_f, kcal/mol:	-178.71
Dipole, Da:	5.18
IP(EA), eV:	-8.74(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-ethylthieno[2,3-b]pyrrol-5-yl)-2-[2-[3-(oxan-4-yl)prop-1-enyl]phenyl]pent-2-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CC12CCC3=C2C=C(C=C3)OCC4=CC(=C(C=C4)C5=C(C=CC(=C5)OC)F)C(C(C)(C)C)Cl

DOS

IR

Vibrations