Geometry & MOs

Info

ID:

181798

PubChem CID:

76793816

Reduced:

O5N6C32H36 (1)

Stoich.:

A5B6C32D36 (1)

Weight, g/mol:

659.368284

ΔHf, kcal/mol:

-126.57

Dipole, Da:

2.56

IP(EA), eV:

 -8.73(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[7-[[1-(2,3-dimethylbutanoyl)pyrrolidin-2-yl]methyl]-20-oxo-13,17-dioxa-21,27,29-triazapentacyclo[24.2.1.02,11.04,9.021,25]nonacosa-1(28),2(11),3,5,7,9,26-heptaen-19-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NC=C(N1)C2=CC=C(C=C2)C3=CC4=C(C=C3)C5=CN=C(N5)C6CCCN6C(=O)C(COCCCCO4)NC(=O)OC

DOS

IR

Vibrations