Geometry & MOs

Info

ID:

422580

PubChem CID:

135118075

Reduced:

N6O6C37H54 (1)

Stoich.:

A6B6C37D54 (1)

Weight, g/mol:

525.18913

ΔHf, kcal/mol:

-305.69

Dipole, Da:

6.21

IP(EA), eV:

 -9.43(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-chloro-16-oxa-1,7,10,11,12,22,25-heptazapentacyclo[23.2.2.217,20.13,7.19,12]tritriaconta-3,5,9(32),10,17,19,30-heptaene-2,21,33-trione

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)CC23CC4CC(C2)CC(C4)C3)C)CC5=CC=CC=C5

DOS

IR

Vibrations