Geometry & MOs

Info

ID:

340121

PubChem CID:

127262130

Reduced:

SN6O6C28H38 (1)

Stoich.:

AB6C6D28E38 (1)

Weight, g/mol:

526.217597

ΔHf, kcal/mol:

-234.17

Dipole, Da:

8.92

IP(EA), eV:

 -8.5(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (2S)-2-[[(2S)-1-amino-5-(carbamoylamino)-1-oxopentan-2-yl]-(4-nitrophenyl)carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CN([C@@H](CCSC)C(=O)N)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations