Geometry & MOs

Info

ID:

398802

PubChem CID:

135035469

Reduced:

O2N6H28C31 (1)

Stoich.:

A2B6C28D31 (1)

Weight, g/mol:

544.258674

ΔHf, kcal/mol:

78.15

Dipole, Da:

9.72

IP(EA), eV:

 -9.2(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-tert-butyl-14-methyl-7-oxo-5-phenyl-8-(2-phenylethyl)-2,3,4,8,18-pentazatetracyclo[8.8.0.02,6.012,17]octadeca-1(10),3,5,11,13,15,17-heptaene-9-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1C2=CC3=CC=CC=C3N=C2N4C(=C(N=N4)C5=CC=CC=C5)C(=O)N1CC6=CC=CC=C6

DOS

IR

Vibrations