Geometry & MOs

Info

ID:

398801

PubChem CID:

135035468

Reduced:

O2N6H30C33 (1)

Stoich.:

A2B6C30D33 (1)

Weight, g/mol:

516.227374

ΔHf, kcal/mol:

75.98

Dipole, Da:

8.5

IP(EA), eV:

 -9.14(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-benzyl-N-tert-butyl-7-oxo-5-phenyl-2,3,4,8,18-pentazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,10,12,14,16-heptaene-9-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2C3=CC4=CC=CC=C4N=C3N5C(=C(N=N5)C6=CC=CC=C6)C(=O)N2CC7=CC=CC=C7

DOS

IR

Vibrations