Geometry & MOs

Info

ID:

54091

PubChem CID:

14720064

Reduced:

F2N5O7C43H57 (1)

Stoich.:

A2B5C7D43E57 (1)

Weight, g/mol:

897.481183

ΔHf, kcal/mol:

-407.82

Dipole, Da:

2.33

IP(EA), eV:

 -9.65(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[3-[[1-[[2-(benzylcarbamoyl)-3-methylbutanoyl]amino]-2,2-difluoro-3-hydroxy-6-methylheptan-4-yl]amino]-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-oxopropyl]imidazole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(C(CNC(=O)C(C(C)C)C(=O)NCC1=CC=CC=C1)(F)F)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations