Geometry & MOs

Info

ID:

54072

PubChem CID:

14719988

Reduced:

FN3O4C20H26 (2)

Stoich.:

AB3C4D20E26 (2)

Weight, g/mol:

979.465533

ΔHf, kcal/mol:

-427.3

Dipole, Da:

2.88

IP(EA), eV:

 -9.39(-0.54)

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-6-methyl-3-oxoheptan-4-yl]amino]-2-[[3-naphthalen-1-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-oxopropyl]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)OCC3=CC=CC=C3

DOS

IR

Vibrations