Geometry & MOs

Info

ID:

54070

PubChem CID:

14719978

Reduced:

F2N5O7C40H57 (1)

Stoich.:

A2B5C7D40E57 (1)

Weight, g/mol:

929.449883

ΔHf, kcal/mol:

-437.65

Dipole, Da:

3.48

IP(EA), eV:

 -9.44(-0.61)

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-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]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](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations