Geometry & MOs

Info

ID:	54098
PubChem CID:	14720118
Reduced:	F2N2O5C28H28 (1)
Stoich.:	A2B2C5D28E28 (1)
Weight, g/mol:	510.196628
ΔH_f, kcal/mol:	-258.45
Dipole, Da:	4.98
IP(EA), eV:	-9.58(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-[[(4S)-4-benzamido-2,2-difluoro-3-hydroxy-5-phenylpentyl]amino]-3-oxopropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(C(CNC(=O)CC(=O)OCC2=CC=CC=C2)(F)F)O)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations