Geometry & MOs

Info

ID:

54071

PubChem CID:

14719980

Reduced:

F2N7O9C49H61 (1)

Stoich.:

A2B7C9D49E61 (1)

Weight, g/mol:

782.381469

ΔHf, kcal/mol:

-419.67

Dipole, Da:

6.37

IP(EA), eV:

 -9.01(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[(2S)-3-[[(4S)-1-[[2-(benzylcarbamoyl)-3-methylbutanoyl]amino]-2,2-difluoro-6-methyl-3-oxoheptan-4-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]imidazole-1-carboxylate

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)[C@H](CC2=CN(C=N2)C(=O)OC(C)(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations