Geometry & MOs

Info

ID:

334649

PubChem CID:

127253324

Reduced:

O2N6H16C17 (1)

Stoich.:

A2B6C16D17 (1)

Weight, g/mol:

654.30535

ΔHf, kcal/mol:

41.7

Dipole, Da:

11.18

IP(EA), eV:

 -9.11(-1.41)

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-(4-methyl-2-oxo-1H-quinolin-7-yl)pentanamide

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)C4=CC5=NN=NN5C=C4

DOS

IR

Vibrations