Geometry & MOs

Info

ID:

378356

PubChem CID:

134224435

Reduced:

N2O2C37H62 (1)

Stoich.:

A2B2C37D62 (1)

Weight, g/mol:

724.394833

ΔHf, kcal/mol:

-136.24

Dipole, Da:

1.47

IP(EA), eV:

 -8.63(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7R)-2,2-dimethyl-8,38-dioxa-13,19,27,33,44,46-hexazahexacyclo[37.2.2.13,7.114,18.121,25.128,32]heptatetraconta-14(46),15,17,21,23,25(45),28,30,32(44)-nonaene-12,20,26,34-tetrone

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)C(C)(C2CCC(CC2)C(C)(C)C3C(CNCC3(C)C)(C)C)C(=O)OCC4=CC=CC=C4)C

DOS

IR

Vibrations