Geometry & MOs

Info

ID:	143720
PubChem CID:	53252480
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	476.140593
ΔH_f, kcal/mol:	-78.59
Dipole, Da:	1.55
IP(EA), eV:	-8.21(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)N1CCC(CC1)C2=CC3=C(N2)C=CC(=C3)C4=CC(=C(C=C4)OC)OC)N

DOS

IR

Vibrations