Geometry & MOs

Info

ID:

415675

PubChem CID:

135088674

Reduced:

ClN4C21H29 (1)

Stoich.:

AB4C21D29 (1)

Weight, g/mol:

612.317252

ΔHf, kcal/mol:

50.05

Dipole, Da:

0.73

IP(EA), eV:

 -8.53(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,7R,10S,13S,15R)-3-(1H-indol-3-ylmethyl)-7-methyl-2,5,12-trioxo-10-propan-2-yl-1,4,11-triazabicyclo[11.3.0]hexadecan-15-yl]imidazo[1,2-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1C[C@@H]2CC(C[C@@H]2C1)N(C)CC3=CN(N=C3)C4=CC=CC=C4Cl

DOS

IR

Vibrations