Geometry & MOs

Info

ID:

419425

PubChem CID:

135108159

Reduced:

NOCl2C16H21 (1)

Stoich.:

ABC2D16E21 (1)

Weight, g/mol:

575.322003

ΔHf, kcal/mol:

-59.22

Dipole, Da:

4.45

IP(EA), eV:

 -9.0(-0.3)

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]-3-methylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)CC3=CC(=C(C=C3)Cl)Cl)O

DOS

IR

Vibrations