Geometry & MOs

Info

ID:	54087
PubChem CID:	14720035
Reduced:	F2N2O3C20H22 (1)
Stoich.:	A2B2C3D20E22 (1)
Weight, g/mol:	413.248998
ΔH_f, kcal/mol:	-205.41
Dipole, Da:	5.36
IP(EA), eV:	-9.68(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4S)-4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl]-N'-benzyl-2-propan-2-ylpropanediamide

Drug info:

PubChemData

Smile

CC(=O)NCC(C(C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O)(F)F

DOS

IR

Vibrations