Geometry & MOs

Info

ID:

419221

PubChem CID:

135107763

Reduced:

O2N3C20H25 (1)

Stoich.:

A2B3C20D25 (1)

Weight, g/mol:

590.321668

ΔHf, kcal/mol:

-60.22

Dipole, Da:

2.88

IP(EA), eV:

 -9.15(-0.88)

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]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC4=CC=CC=C4C=C3)N

DOS

IR

Vibrations