Geometry & MOs

Info

ID:

340101

PubChem CID:

127262110

Reduced:

PN3O7C32H52 (1)

Stoich.:

AB3C7D32E52 (1)

Weight, g/mol:

509.288971

ΔHf, kcal/mol:

-398.97

Dipole, Da:

6.15

IP(EA), eV:

 -9.51(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-(1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N)N(C(CC1CCCCC1)C(O)P(=O)(OC)OC)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3CCCC3

DOS

IR

Vibrations