Geometry & MOs

Info

ID:

404531

PubChem CID:

135066688

Reduced:

N2O5C28H34 (1)

Stoich.:

A2B5C28D34 (1)

Weight, g/mol:

828.11345

ΔHf, kcal/mol:

-184.07

Dipole, Da:

3.14

IP(EA), eV:

 -8.15(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(4-bromophenyl)sulfonyl-4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]-2,5-dihydropyrrol-3-yl]prop-2-enyl benzoate

Drug info:

PubChemData

Smile

C[C@H]1CC2=C(C[C@@H]3C4=C(CCN3C2)C5=C(N4C(=O)OC(C)(C)C)C=C(C=C5)OC)C(=C1)C(=O)OC

DOS

IR

Vibrations