Geometry & MOs

Info

ID:

220108

PubChem CID:

85165250

Reduced:

Cl2N5O5C33H35 (1)

Stoich.:

A2B5C5D33E35 (1)

Weight, g/mol:

652.168658

ΔHf, kcal/mol:

-173.94

Dipole, Da:

11.36

IP(EA), eV:

 -8.94(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 2-[3-acetyloxy-4-[(4-nitrophenyl)methoxycarbonylamino]butyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC(=C(C=C2)Cl)Cl)CNC(=O)CCC(=O)O)NC(=O)C(CC3=CNC4=CC=CC=C43)N

DOS

IR

Vibrations