Geometry & MOs

Info

ID:	443066
PubChem CID:	135257595
Reduced:	N3C18H20 (2)
Stoich.:	A3B18C20 (2)
Weight, g/mol:	495.113885
ΔH_f, kcal/mol:	176.28
Dipole, Da:	3.8
IP(EA), eV:	-7.68(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-4-phenylmethoxybutanoate

Drug info:

PubChemData

Smile

CN1CCC(C2C1NCCC2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)N(C7=CC=CC=C76)C8CC=NC9C8=CCCN9C

DOS

IR

Vibrations