Geometry & MOs

Info

ID:	445521
PubChem CID:	135267609
Reduced:	FSN2O4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	442.169271
ΔH_f, kcal/mol:	-125.38
Dipole, Da:	6.93
IP(EA), eV:	-8.24(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z,5E)-2-(4-fluorophenyl)-4-[2-(3-formylphenyl)prop-2-enylidene]-N-methyl-5-(2-methyl-1,2-dihydropyrrol-3-ylidene)furan-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=C2C(=C3C(=C1)C(=C(O3)C4=CC=C(C=C4)F)C(=O)NC)C=CN2S(=O)C

DOS

IR

Vibrations