Geometry & MOs

Info

ID:

334539

PubChem CID:

127253214

Reduced:

N4O5H16C17 (1)

Stoich.:

A4B5C16D17 (1)

Weight, g/mol:

640.300933

ΔHf, kcal/mol:

-161.9

Dipole, Da:

5.08

IP(EA), eV:

 -8.87(-0.73)

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-[3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=O)N(C1=O)C)C2=C(NC(=O)N2)C3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations