Geometry & MOs

Info

ID:

418343

PubChem CID:

135104237

Reduced:

O2N5C21H33 (1)

Stoich.:

A2B5C21D33 (1)

Weight, g/mol:

672.374767

ΔHf, kcal/mol:

-36.05

Dipole, Da:

5.06

IP(EA), eV:

 -8.4(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-10-methyl-7-(2-methylpropyl)-17-[4-(1,2,4-triazol-1-yl)butanoyl]-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCOC2=CC=CC=C2CN(CCO)CC3=NC=CN3

DOS

IR

Vibrations