Geometry & MOs

Info

ID:

421165

PubChem CID:

135115493

Reduced:

ON6C19H26 (1)

Stoich.:

AB6C19D26 (1)

Weight, g/mol:

533.275053

ΔHf, kcal/mol:

10.91

Dipole, Da:

3.01

IP(EA), eV:

 -8.46(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5R)-5-(1H-indol-3-ylmethyl)-2-methyl-11-(1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbonyl)-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCCCC2)N3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations