Geometry & MOs

Info

ID:

335185

PubChem CID:

127254046

Reduced:

O4N5C32H33 (1)

Stoich.:

A4B5C32D33 (1)

Weight, g/mol:

656.357385

ΔHf, kcal/mol:

-98.83

Dipole, Da:

7.19

IP(EA), eV:

 -8.99(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-3-methyl-N-(3-piperidin-1-ylphenyl)pentanamide

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)CCNC(=O)CCCN4C5C6=CC=CC=C6C(=O)N5C7=CC=CC=C7C4=O

DOS

IR

Vibrations