Geometry & MOs

Info

ID:

334839

PubChem CID:

127253645

Reduced:

ON3C9H14 (2)

Stoich.:

AB3C9D14 (2)

Weight, g/mol:

653.321334

ΔHf, kcal/mol:

-39.26

Dipole, Da:

9.39

IP(EA), eV:

 -9.52(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(7S)-1,2,3-trimethoxy-10-[[4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]amino]-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CC2CC(C1)C3CCCC(=O)N3C2)N4C=NN=N4

DOS

IR

Vibrations