Geometry & MOs

Info

ID:

340102

PubChem CID:

127262111

Reduced:

N3O5C29H39 (1)

Stoich.:

A3B5C29D39 (1)

Weight, g/mol:

501.203049

ΔHf, kcal/mol:

-197.8

Dipole, Da:

2.24

IP(EA), eV:

 -9.39(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N([C@@H](CC(C)C)C(=O)N)C(CC1=CC=CC=C1)C=O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations