Geometry & MOs

Info

ID:

340046

PubChem CID:

127262055

Reduced:

NOF2C6H7 (3)

Stoich.:

ABC2D6E7 (3)

Weight, g/mol:

451.206698

ΔHf, kcal/mol:

-444.2

Dipole, Da:

6.22

IP(EA), eV:

 -10.26(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[(2S)-1-(N-[(2S)-1-amino-1-oxopropan-2-yl]-4-nitroanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)N(C1=CC=C(C=C1)C(F)(F)F)C(=O)[C@H](CC(C)C)NC(=O)C(F)(F)F

DOS

IR

Vibrations