Geometry & MOs

Info

ID:

405434

PubChem CID:

135073888

Reduced:

NSO2H21C24 (1)

Stoich.:

ABC2D21E24 (1)

Weight, g/mol:

828.11345

ΔHf, kcal/mol:

-7.22

Dipole, Da:

6.5

IP(EA), eV:

 -8.47(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(4-bromophenyl)sulfonyl-[4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enyl]-(4-nitrophenyl)sulfonylamino]but-2-ynyl]amino]but-2-ynyl benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations