Geometry & MOs

Info

ID:

417314

PubChem CID:

135092033

Reduced:

ON5C18H21 (1)

Stoich.:

AB5C18D21 (1)

Weight, g/mol:

548.285952

ΔHf, kcal/mol:

28.55

Dipole, Da:

4.47

IP(EA), eV:

 -8.74(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,8S,14S)-14-benzyl-5,17-dimethyl-8-propan-2-yl-10-(1H-pyrrole-3-carbonyl)-1,4,7,10,13,16,18-heptazabicyclo[13.3.0]octadeca-15,17-diene-3,6,12-trione

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C3=NC(=NC4=CC=CC=C43)C

DOS

IR

Vibrations