Geometry & MOs

Info

ID:	375776
PubChem CID:	134221766
Reduced:	ClOF3N5C23H23 (1)
Stoich.:	ABC3D5E23F23 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	-131.33
Dipole, Da:	7.3
IP(EA), eV:	-9.17(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]pyridin-3-yl]methyl propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C/C(C2=CC(=CC(=C2)Cl)N3C=CC(=NC3=O)N)C(F)(F)F)CNCN

DOS

IR

Vibrations