Geometry & MOs

Info

ID:

220212

PubChem CID:

85165369

Reduced:

SB2O2C43H72 (1)

Stoich.:

AB2C2D43E72 (1)

Weight, g/mol:

674.261935

ΔHf, kcal/mol:

-213.75

Dipole, Da:

1.95

IP(EA), eV:

 -8.45(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 2-[2-acetyloxy-3-[(4-nitrophenyl)methoxycarbonylamino]propyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

B(C1C(CCC2C1C2(C)C)C)(C3C(CCC4C3C4(C)C)C)OC(=CSC)OB(C5C(CCC6C5C6(C)C)C)C7C(CCC8C7C8(C)C)C

DOS

IR

Vibrations