Geometry & MOs

Info

ID:

335200

PubChem CID:

127254061

Reduced:

O3N4C24H26 (1)

Stoich.:

A3B4C24D26 (1)

Weight, g/mol:

685.293405

ΔHf, kcal/mol:

-67.36

Dipole, Da:

2.45

IP(EA), eV:

 -8.6(-1.15)

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-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pentanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CCCN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations