Geometry & MOs

Info

ID:

54076

PubChem CID:

14720005

Reduced:

F2N3O5C26H39 (1)

Stoich.:

A2B3C5D26E39 (1)

Weight, g/mol:

547.262455

ΔHf, kcal/mol:

-357.82

Dipole, Da:

5.68

IP(EA), eV:

 -9.43(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(4S)-1-[[2-(benzylcarbamoyl)-3-methylbutanoyl]amino]-2,2-difluoro-6-methyl-3-oxoheptan-4-yl]carbamate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)C(CNC(=O)C(C(C)C)C(=O)NCC1=CC=CC=C1)(F)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations