Geometry & MOs

Info

ID:

215203

PubChem CID:

85084358

Reduced:

N6O13C35H42 (1)

Stoich.:

A6B13C35D42 (1)

Weight, g/mol:

754.441784

ΔHf, kcal/mol:

-499.7

Dipole, Da:

9.57

IP(EA), eV:

 -9.87(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11,20-dibenzyl-23-butan-2-yl-10,22-dimethyl-3,10,13,19,22,25-hexazatetracyclo[23.4.0.03,8.013,17]nonacosane-2,9,12,18,21,24-hexone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NN(CC(=O)O)C(=O)C=CC(=O)NCC1=CC=CC=C1)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations