Geometry & MOs

Info

ID:

302375

PubChem CID:

124361504

Reduced:

FSN4O5C26H39 (1)

Stoich.:

ABC4D5E26F39 (1)

Weight, g/mol:

534.287592

ΔHf, kcal/mol:

-298.11

Dipole, Da:

4.53

IP(EA), eV:

 -8.64(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-1-[4-[[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=C(C=C1)F)NC(=O)C2CCN(CC2)C(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations