Geometry & MOs

Info

ID:	404415
PubChem CID:	135066182
Reduced:	PF2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	551.09435
ΔH_f, kcal/mol:	-238.41
Dipole, Da:	5.88
IP(EA), eV:	-9.22(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R)-6-bromo-3-oxo-1-[(S)-phenyl(phenylmethoxycarbonylamino)methyl]-2-benzofuran-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)P(=O)(C1=C(C=CC=C1F)O)OC2=CC(=CC=C2)F

DOS

IR

Vibrations