Geometry & MOs

Info

ID:	87504
PubChem CID:	49895093
Reduced:	FNSO2H14C18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	527.036099
ΔH_f, kcal/mol:	-72.89
Dipole, Da:	1.18
IP(EA), eV:	-9.36(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[(Z)-[3-[(2-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2,4-dichlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)F)/SC2=O

DOS

IR

Vibrations