Geometry & MOs

Info

ID:

397535

PubChem CID:

135030354

Reduced:

ON2H16C17 (2)

Stoich.:

AB2C16D17 (2)

Weight, g/mol:

674.358054

ΔHf, kcal/mol:

100.72

Dipole, Da:

5.01

IP(EA), eV:

 -7.95(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,9S,19S,24S)-14,29-dibenzyl-3,10,14,18,25,29-hexazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),12,15,27-tetraene-2,11,17,26-tetrone

Drug info:

PubChemData

Smile

C1C=CN2CC3=CC(=CC=C3)CN4C=CCC(=C4)C(=O)N[C@H]([C@@H](NC(=O)C1=C2)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations