Geometry & MOs

Info

ID:

219866

PubChem CID:

85164983

Reduced:

O4N5C36H43 (1)

Stoich.:

A4B5C36D43 (1)

Weight, g/mol:

609.308157

ΔHf, kcal/mol:

-61.86

Dipole, Da:

5.09

IP(EA), eV:

 -8.68(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCNC(=O)C(C(CCCN=C(N)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)OC)N)O

DOS

IR

Vibrations