Geometry & MOs

Info

ID:	151563
PubChem CID:	53837796
Reduced:	FN2O6H23C26 (1)
Stoich.:	AB2C6D23E26 (1)
Weight, g/mol:	559.06979
ΔH_f, kcal/mol:	-228.0
Dipole, Da:	4.86
IP(EA), eV:	-9.71(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[4-(4-bromophenoxy)phenyl]sulfonylamino]-3-(2-hydroxyethylsulfanyl)-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)OC)C2=CC(=CC=C2)F)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations