Geometry & MOs

Info

ID:

16323

PubChem CID:

464434

Reduced:

N3O4C30H44 (1)

Stoich.:

A3B4C30D44 (1)

Weight, g/mol:

510.333182

ΔHf, kcal/mol:

-156.91

Dipole, Da:

3.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.835033

Charge, e:

 1

Chem-info

IUPAC name:

benzyl-(cyclohexanecarbonylamino)-[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]-methylazanium

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[N+](C)(CC2=CC=CC=C2)NC(=O)C3CCCCC3)O

DOS

IR

Vibrations