Geometry & MOs

Info

ID:

335159

PubChem CID:

127254020

Reduced:

O2N4H18C21 (1)

Stoich.:

A2B4C18D21 (1)

Weight, g/mol:

609.22572

ΔHf, kcal/mol:

0.17

Dipole, Da:

7.03

IP(EA), eV:

 -8.34(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=CN=CC=C5

DOS

IR

Vibrations