Geometry & MOs

Info

ID:	176625
PubChem CID:	76075460
Reduced:	ClN2O5H19C23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	469.150527
ΔH_f, kcal/mol:	-31.21
Dipole, Da:	4.71
IP(EA), eV:	-8.52(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(tert-butylsulfonylmethyl)-3-fluoro-4-oxo-7-pyridin-4-yl-3-(1,3-thiazol-4-ylmethyl)heptanamide

Drug info:

PubChemData

Smile

CC(=O)C(=CC1=C(C(=CC=C1)C#N)Cl)C(C2=C(N(C(=C2)O)CC3=CC=CC=C3)O)OO

DOS

IR

Vibrations