Geometry & MOs

Info

ID:	443079
PubChem CID:	135257625
Reduced:	SN2F5O6H27C29 (1)
Stoich.:	AB2C5D6E27F29 (1)
Weight, g/mol:	495.113885
ΔH_f, kcal/mol:	-393.2
Dipole, Da:	5.07
IP(EA), eV:	-8.73(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-3-phenylmethoxypropanoate

Drug info:

PubChemData

Smile

CCCN(CC(=O)N(CC1=CC=C(C=C1)C2CCOC2)C3=CC(=C(C=C3)C(=O)O)O)S(=O)C4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations