Geometry & MOs

Info

ID:

334262

PubChem CID:

127252814

Reduced:

O3N4C26H36 (1)

Stoich.:

A3B4C26D36 (1)

Weight, g/mol:

678.341735

ΔHf, kcal/mol:

-128.0

Dipole, Da:

3.17

IP(EA), eV:

 -8.8(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(7S)-10-[[(2S,3R)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Drug info:

PubChemData

Smile

CN(C[C@@H]1CCCN2[C@@H]1CCCC2)C(=O)CCCN3C(=O)[C@H]4CC5=CC=CC=C5CN4C3=O

DOS

IR

Vibrations