Geometry & MOs

Info

ID:	54101
PubChem CID:	14720143
Reduced:	F2N3O5C19H21 (1)
Stoich.:	A2B3C5D19E21 (1)
Weight, g/mol:	421.181313
ΔH_f, kcal/mol:	-202.5
Dipole, Da:	2.94
IP(EA), eV:	-9.74(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-5-acetamido-1-(4-aminophenyl)-4,4-difluoro-3-hydroxypentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC=C(C=C2)[N+](=O)[O-])C(C(CN)(F)F)O

DOS

IR

Vibrations