Geometry & MOs

Info

ID:	311359
PubChem CID:	126591034
Reduced:	N2O3F4C17H20 (1)
Stoich.:	A2B3C4D17E20 (1)
Weight, g/mol:	526.051432
ΔH_f, kcal/mol:	-343.06
Dipole, Da:	7.08
IP(EA), eV:	-9.28(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1-(5-chloropyridin-2-yl)-4-[(1R,2S)-1-(5-chloropyridin-2-yl)-2-sulfamoylpropoxy]-1-methoxybutane-2-sulfonamide

Drug info:

PubChemData

Smile

CC1(CC(C(NC1=O)C2=C(C=CC(=C2)NC(=O)OC(C)(C)C)F)(F)F)F

DOS

IR

Vibrations