Geometry & MOs

Info

ID:

390089

PubChem CID:

134997007

Reduced:

NSO12C52H53 (1)

Stoich.:

ABC12D52E53 (1)

Weight, g/mol:

811.419651

ΔHf, kcal/mol:

-365.5

Dipole, Da:

6.22

IP(EA), eV:

 -9.04(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

phenyl 4-[[4-[(4-nitrobenzoyl)-octylamino]benzoyl]-[(4-octoxyphenyl)methyl]amino]benzoate

Drug info:

PubChemData

Smile

CCSC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OC4C(C(C(C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OC(=O)C)N8C(=O)C9=CC=CC=C9C8=O

DOS

IR

Vibrations