Geometry & MOs

Info

ID:	185957
PubChem CID:	77373437
Reduced:	SN2O2C20H31 (1)
Stoich.:	AB2C2D20E31 (1)
Weight, g/mol:	508.216712
ΔH_f, kcal/mol:	-51.73
Dipole, Da:	3.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770477
Charge, e:	0

Chem-info

IUPAC name:

pyridin-2-ylmethyl 2-amino-2-[[4,4-difluoro-3-hydroxy-5-(propylsulfonylamino)hexan-2-yl]carbamoyl]-3-methylbutanoate

Drug info:

PubChemData

Smile

CCN(CCC=CC1=CC=C(C=C1)CNS(=O)[O-])CCC2CCCC2

DOS

IR

Vibrations