Geometry & MOs

Info

ID:	217539
PubChem CID:	85087967
Reduced:	BrO5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	373.142482
ΔH_f, kcal/mol:	-207.89
Dipole, Da:	3.53
IP(EA), eV:	-9.69(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-3-methylbutanoyl)-N-(3,3,4,4,4-pentafluoro-2-oxobutyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(OC2C(C(OC2O1)C(CBr)O)OCC3=CC=CC=C3)C

DOS

IR

Vibrations