Geometry & MOs

Info

ID:	169399
PubChem CID:	75100930
Reduced:	F2O3N4C29H38 (1)
Stoich.:	A2B3C4D29E38 (1)
Weight, g/mol:	534.175933
ΔH_f, kcal/mol:	-178.31
Dipole, Da:	5.03
IP(EA), eV:	-8.63(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-ethoxy-4-methoxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-pyridin-2-ylsulfanylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)N2CC(CC2C(=O)NCCC3=CC4=C(C=C3)OCO4)NCC5=C(C=CC=C5F)F

DOS

IR

Vibrations