Geometry & MOs

Info

ID:

219775

PubChem CID:

85164884

Reduced:

Cl2N3O4C32H35 (1)

Stoich.:

A2B3C4D32E35 (1)

Weight, g/mol:

596.142444

ΔHf, kcal/mol:

-155.91

Dipole, Da:

3.66

IP(EA), eV:

 -9.4(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 2-[1-hydroxy-3-[(4-nitrophenyl)methoxycarbonylamino]propyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)NCC4=C(C=CC(=C4)Cl)Cl

DOS

IR

Vibrations