Geometry & MOs

Info

ID:

334266

PubChem CID:

127252818

Reduced:

N5O6C29H35 (1)

Stoich.:

A5B6C29D35 (1)

Weight, g/mol:

602.248897

ΔHf, kcal/mol:

-147.32

Dipole, Da:

5.73

IP(EA), eV:

 -8.65(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]butanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC1=CNN=C1)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations