Geometry & MOs

Info

ID:

335203

PubChem CID:

127254064

Reduced:

N5O6C32H35 (1)

Stoich.:

A5B6C32D35 (1)

Weight, g/mol:

650.241035

ΔHf, kcal/mol:

-130.16

Dipole, Da:

5.68

IP(EA), eV:

 -8.2(-0.72)

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-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC2=C(C=C1)N(C=N2)C)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations