Geometry & MOs

Info

ID:

420268

PubChem CID:

135112143

Reduced:

N5C16H21 (1)

Stoich.:

A5B16C21 (1)

Weight, g/mol:

744.345832

ΔHf, kcal/mol:

73.05

Dipole, Da:

6.34

IP(EA), eV:

 -8.84(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,6S,9R,12S,18S,20R)-9-benzyl-20-hydroxy-3-methyl-6-(2-methylpropyl)-2,5,8,11,17-pentaoxo-1,4,7,10,16-pentazabicyclo[16.3.0]henicosan-12-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC1=CN2C=CC=C(C2=N1)C)CC3=NC=CN3C

DOS

IR

Vibrations