Geometry & MOs

Info

ID:

334901

PubChem CID:

127253707

Reduced:

N4O5C24H32 (1)

Stoich.:

A4B5C24D32 (1)

Weight, g/mol:

621.316249

ΔHf, kcal/mol:

-185.32

Dipole, Da:

7.06

IP(EA), eV:

 -8.74(-0.2)

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-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentanamide

Drug info:

PubChemData

Smile

CN(C[C@@H]1CCCN2[C@@H]1CCCC2)C(=O)C[C@H]3C(=O)N(C(=O)N3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations