Geometry & MOs

Info

ID:

419864

PubChem CID:

135109450

Reduced:

O3N6C14H18 (1)

Stoich.:

A3B6C14D18 (1)

Weight, g/mol:

877.423508

ΔHf, kcal/mol:

-12.77

Dipole, Da:

3.13

IP(EA), eV:

 -9.65(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,12R,18S)-16-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-12-(1H-indol-3-ylmethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-18-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

CNC(=O)C1=NOC(=N1)CN2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations