Geometry & MOs

Info

ID:	297403
PubChem CID:	117616928
Reduced:	ClFO2N6C24H26 (1)
Stoich.:	ABC2D6E24F26 (1)
Weight, g/mol:	378.103814
ΔH_f, kcal/mol:	-26.54
Dipole, Da:	10.75
IP(EA), eV:	-9.88(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-cyclopropylimino-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-phenyl-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)CN2C3=C(N=C(C=C3N=C2C(C)(C)F)C4=NC(=O)ON4)C5=CC(=CN=C5)Cl

DOS

IR

Vibrations