Geometry & MOs

Info

ID:

324932

PubChem CID:

126678744

Reduced:

O2N5C27H33 (1)

Stoich.:

A2B5C27D33 (1)

Weight, g/mol:

900.323125

ΔHf, kcal/mol:

0.96

Dipole, Da:

4.34

IP(EA), eV:

 -8.24(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-[[4-[3-[[3-[3-[[4-(hydroxycarbamoyl)phenyl]methylcarbamoyl]-1,2-oxazol-5-yl]phenyl]carbamoyl]cyclohexyl]carbazol-9-yl]methyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCN(CC2)C)C3=CC4=C(C=C3)N5C=C(N=C5CO4)CN6CCOCC6

DOS

IR

Vibrations